Geometry & MOs

Info

ID:	380413
PubChem CID:	134970857
Reduced:	O5C16H18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	666.256503
ΔH_f, kcal/mol:	-184.73
Dipole, Da:	3.08
IP(EA), eV:	-8.82(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-diphenylphosphanylcyclopenta-2,4-dien-1-ylidene)-[[(1R,2R)-2-[[(Z)-(2-diphenylphosphanylcyclopenta-2,4-dien-1-ylidene)-hydroxymethyl]amino]cyclohexyl]amino]methanol

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

COC(=O)[C@@H]1CCC[C@@]12C3=CC4=C(C=C3CCO2)OCO4

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

COC(=O)[C@@H]1CCC[C@@]12C3=CC4=C(C=C3CCO2)OCO4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):