Geometry & MOs

Info

ID:	391289
PubChem CID:	135004154
Reduced:	CrOC29H40 (1)
Stoich.:	ABC29D40 (1)
Weight, g/mol:	570.145806
ΔH_f, kcal/mol:	24.36
Dipole, Da:	0.45
IP(EA), eV:	-7.35(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;[[(4S)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxymethylidene]chromium

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCC[C@@H](CC(=[Cr])O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC=CC=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCC[C@@H](CC(=[Cr])O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC=CC=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):