Geometry & MOs

Info

ID:	173526
PubChem CID:	75649147
Reduced:	BrClON2H9C16 (1)
Stoich.:	ABCD2E9F16 (1)
Weight, g/mol:	359.9665
ΔH_f, kcal/mol:	81.72
Dipole, Da:	4.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.146725
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-bromophenyl)-1-chloroethenyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)C(=CC3=CC(=CC=C3)Br)Cl)[O-]

DOS

IR

Vibrations