Geometry & MOs

Info

ID:

134276

PubChem CID:

51671719

Reduced:

N3O3C29H31 (1)

Stoich.:

A3B3C29D31 (1)

Weight, g/mol:

474.206063

ΔHf, kcal/mol:

-43.0

Dipole, Da:

2.5

IP(EA), eV:

 -8.64(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(5S,5aS)-2'-[(2-chlorophenyl)methyl]-3,5'-dimethyl-1-phenylspiro[5a,6,7,8,9,10-hexahydro-4H-pyrazolo[4,3-c]quinolizin-10-ium-5,4'-pyrazole]-3'-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)CC(=O)N2[C@@H](CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

DOS

IR

Vibrations