Geometry & MOs

Info

ID:	46586
PubChem CID:	10525389
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	406.214409
ΔH_f, kcal/mol:	-56.57
Dipole, Da:	6.71
IP(EA), eV:	-9.41(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,11R,13S,14S)-11-[4-(2-hydroxyethoxy)phenyl]-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

CCC1=CN(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C)CC3=CC=CC=C3

DOS

IR

Vibrations