Geometry & MOs

Info

ID:	190038
PubChem CID:	77944063
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	-10.1
Dipole, Da:	4.58
IP(EA), eV:	-8.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-17-(hydroxymethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1CC2=C(CC1(C)C)C=NC3=C(N2)C(=CC=C3)O

DOS

IR

Vibrations