Geometry & MOs

Info

ID:	159839
PubChem CID:	57288806
Reduced:	C13H18 (1)
Stoich.:	A13B18 (1)
Weight, g/mol:	442.392314
ΔH_f, kcal/mol:	16.18
Dipole, Da:	0.59
IP(EA), eV:	-9.24(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9R,10S,13R,14S)-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-ol

Drug info:

PubChemData

Smile

CCC(CC1CC1)C2=CC=CC=C2

DOS

IR

Vibrations