Geometry & MOs

Info

ID:	42961
PubChem CID:	10317430
Reduced:	ClO2N4H13C20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	376.097855
ΔH_f, kcal/mol:	99.57
Dipole, Da:	2.28
IP(EA), eV:	-9.15(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-6-chloro-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3-(2-phenylethyl)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations