Geometry & MOs

Info

ID:	229574
PubChem CID:	87568065
Reduced:	PF2N2O7C25H33 (1)
Stoich.:	AB2C2D7E25F33 (1)
Weight, g/mol:	496.116238
ΔH_f, kcal/mol:	-447.25
Dipole, Da:	5.37
IP(EA), eV:	-9.67(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(1H-imidazol-5-yl)propanoic acid;chromium;2-[[(1Z)-1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

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

CCOP(=O)(C(C1=CC=C(C=C1)CC(C(=O)NCCCO)NC(=O)OCC2=CC=CC=C2)(F)F)OCC

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

CCOP(=O)(C(C1=CC=C(C=C1)CC(C(=O)NCCCO)NC(=O)OCC2=CC=CC=C2)(F)F)OCC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):