Geometry & MOs

Info

ID:

214815

PubChem CID:

85083687

Reduced:

O5N6C31H46 (1)

Stoich.:

A5B6C31D46 (1)

Weight, g/mol:

615.27846

ΔHf, kcal/mol:

-213.96

Dipole, Da:

3.27

IP(EA), eV:

 -9.0(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl)oxycarbonyloxymethyl-tripropylazanium;iodide

Drug info:

PubChemData

Smile

CC1C(NC(=O)C(N1)CCCCNC(=O)C(CC2=CC=C(C=C2)O)N)CCCCNC(=O)C(CN)C3=CC=C(C=C3)O

DOS

IR

Vibrations