Geometry & MOs

Info

ID:	382897
PubChem CID:	134974328
Reduced:	C9H16 (3)
Stoich.:	A9B16 (3)
Weight, g/mol:	390.36618
ΔH_f, kcal/mol:	-100.19
Dipole, Da:	0.12
IP(EA), eV:	-9.87(3.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S,10S,13R,17S)-3-fluoro-10,13-dimethyl-17-octyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

CCCCCCCC[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCCC4)C)C

DOS

IR

Vibrations