Geometry & MOs

Info

ID:	146715
PubChem CID:	53733894
Reduced:	NC24H47 (1)
Stoich.:	AB24C47 (1)
Weight, g/mol:	326.22458
ΔH_f, kcal/mol:	-89.66
Dipole, Da:	1.6
IP(EA), eV:	-9.2(1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13R,17S)-17-butyl-3-hydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCC1(CCCCC1)N

DOS

IR

Vibrations