Geometry & MOs

Info

ID:

383147

PubChem CID:

134974711

Reduced:

O2N4C22H25 (1)

Stoich.:

A2B4C22D25 (1)

Weight, g/mol:

424.189926

ΔHf, kcal/mol:

-20.18

Dipole, Da:

2.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.927585

Charge, e:

 0

Chem-info

IUPAC name:

3'-benzyl-1',2-dimethylspiro[5,9b-dihydroimidazo[5,1-a]isoindole-1,4'-quinazoline]-2',3-dione

Drug info:

PubChemData

Smile

CCCNC(=O)N(C)C1=CC=CC=C1C2=[N+](C(=O)N3C2C4=CC=CC=C4C3)C

DOS

IR

Vibrations