Geometry & MOs

Info

ID:

165424

PubChem CID:

74547911

Reduced:

N2O3C21H31 (1)

Stoich.:

A2B3C21D31 (1)

Weight, g/mol:

404.09736

ΔHf, kcal/mol:

-79.98

Dipole, Da:

2.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.042836

Charge, e:

 1

Chem-info

IUPAC name:

5'-bromo-5-ethyl-1',7-dimethylspiro[1-aza-3-azoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione

Drug info:

PubChemData

Smile

CCCC12C[NH+]3CC(C1=O)(CN(C2)C3C4=CC(=C(C=C4)OCC)OC)C

DOS

IR

Vibrations