Geometry & MOs

Info

ID:	17400
PubChem CID:	495940
Reduced:	NO2C20H29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	315.219829
ΔH_f, kcal/mol:	-110.54
Dipole, Da:	0.88
IP(EA), eV:	-8.52(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

CCNC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O

DOS

IR

Vibrations