Geometry & MOs

Info

ID:	25963
PubChem CID:	634974
Reduced:	N2O3C11H14 (2)
Stoich.:	A2B3C11D14 (2)
Weight, g/mol:	444.360345
ΔH_f, kcal/mol:	-81.47
Dipole, Da:	10.88
IP(EA), eV:	-8.66(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10,13-dimethyl-17-octan-2-yl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) acetate

Drug info:

PubChemData

Smile

C1COCCOCCOCCOCCN1C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations