Geometry & MOs

Info

ID:

129013

PubChem CID:

51066541

Reduced:

N2O3C19H21 (1)

Stoich.:

A2B3C19D21 (1)

Weight, g/mol:

326.163043

ΔHf, kcal/mol:

1.73

Dipole, Da:

13.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.200830

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1S)-10-oxo-8-azatricyclo[5.3.1.03,8]undeca-2,4,6-trien-5-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(CN2C3=CC4=C[C@@H]5CC(=C3)N4CC5=O)C(=O)[O-]

DOS

IR

Vibrations