Geometry & MOs

Info

ID:	19525
PubChem CID:	566671
Reduced:	NOC27H47 (1)
Stoich.:	ABC27D47 (1)
Weight, g/mol:	401.365765
ΔH_f, kcal/mol:	-124.75
Dipole, Da:	2.42
IP(EA), eV:	-8.73(3.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-[1-(5-methylpiperidin-2-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC1CCC(NC1)C(C)C2CCC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C

DOS

IR

Vibrations