Geometry & MOs

Info

ID:

165425

PubChem CID:

74547912

Reduced:

BrO2N3C19H23 (1)

Stoich.:

AB2C3D19E23 (1)

Weight, g/mol:

360.171202

ΔHf, kcal/mol:

-43.18

Dipole, Da:

2.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.046451

Charge, e:

 1

Chem-info

IUPAC name:

5-methyl-7-phenylspiro[1-aza-3-azoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione

Drug info:

PubChemData

Smile

CCC12C[NH+]3CC(C1=O)(CN(C2)C34C5=C(C=CC(=C5)Br)N(C4=O)C)C

DOS

IR

Vibrations