Geometry & MOs

Info

ID:	85665
PubChem CID:	49877906
Reduced:	ION3H16C24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	463.01677
ΔH_f, kcal/mol:	116.52
Dipole, Da:	1.07
IP(EA), eV:	-8.78(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(2E)-2-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)ethylidene]-3-(4-nitrophenyl)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2/C(=C/C=C\3/C=NC4=CC=CC=C43)/NC5=C(C2=O)C=C(C=C5)I

DOS

IR

Vibrations