Geometry & MOs

Info

ID:	32221
PubChem CID:	6435975
Reduced:	BrClON3H19C30 (1)
Stoich.:	ABCD3E19F30 (1)
Weight, g/mol:	492.04332
ΔH_f, kcal/mol:	99.87
Dipole, Da:	7.23
IP(EA), eV:	-8.68(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-nitroanilino)quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)/C=C/C4=C(NC5=CC=CC=C54)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations