Geometry & MOs

Info

ID:	42953
PubChem CID:	10317380
Reduced:	NOH4C5 (4)
Stoich.:	ABC4D5 (4)
Weight, g/mol:	376.122321
ΔH_f, kcal/mol:	6.71
Dipole, Da:	6.92
IP(EA), eV:	-8.48(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-3-[2-(3-fluorophenyl)ethyl]-5-hydroxy-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)N)[N+](=O)[O-]

DOS

IR

Vibrations