Geometry & MOs

Info

ID:

224875

PubChem CID:

85542273

Reduced:

O4C7H9 (1)

Stoich.:

A4B7C9 (1)

Weight, g/mol:

281.97524

ΔHf, kcal/mol:

-151.36

Dipole, Da:

1.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.890403

Charge, e:

 0

Chem-info

IUPAC name:

7-bromo-4-oxo-4aH-quinazoline-2-carbohydrazide

Drug info:

PubChemData

Smile

CC(=C)C(C(=O)[O-])C(=O)OC

DOS

IR

Vibrations