Geometry & MOs

Info

ID:	160371
PubChem CID:	57309719
Reduced:	NC2H5 (4)
Stoich.:	AB2C5 (4)
Weight, g/mol:	318.25588
ΔH_f, kcal/mol:	-8.43
Dipole, Da:	2.43
IP(EA), eV:	-8.71(2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CN1CCNCC1)(N)N

DOS

IR

Vibrations