Geometry & MOs

Info

ID:	187489
PubChem CID:	77580091
Reduced:	F2O5C27H36 (1)
Stoich.:	A2B5C27D36 (1)
Weight, g/mol:	325.204179
ΔH_f, kcal/mol:	-320.55
Dipole, Da:	7.54
IP(EA), eV:	-9.8(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hydroxymethylidene)-13,17-dimethyl-3-oxo-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile

Drug info:

PubChemData

Smile

CCC(=O)OC1C(CC2C1(CC(C3(C2CC(C4=CC(=O)C(=CC43C)CC=CCO)F)F)O)C)C

DOS

IR

Vibrations