Geometry & MOs

Info

ID:	31898
PubChem CID:	3723177
Reduced:	FNO4H16C20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	311.188529
ΔH_f, kcal/mol:	-122.98
Dipole, Da:	3.29
IP(EA), eV:	-9.04(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-10,13-dimethyl-3-oxo-2,4,7,8,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2C3=C(C(=O)N2C)OC4=C(C3=O)C=C(C=C4)F

DOS

IR

Vibrations