Geometry & MOs

Info

ID:

179434

PubChem CID:

76482852

Reduced:

N4O5C27H28 (1)

Stoich.:

A4B5C27D28 (1)

Weight, g/mol:

465.287909

ΔHf, kcal/mol:

-131.19

Dipole, Da:

6.39

IP(EA), eV:

 -8.9(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[4-(dimethylamino)phenyl]-7-(hydroxymethyl)-13-methylspiro[1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one

Drug info:

PubChemData

Smile

CCC1=NC=C(N1)CC(C2=CC3=C(C=C2)OCO3)C(=O)NC(C)CC4=CN(C5=CC=CC=C54)C(=O)O

DOS

IR

Vibrations