Geometry & MOs

Info

ID:	19115
PubChem CID:	554971
Reduced:	FN3O3H14C22 (1)
Stoich.:	AB3C3D14E22 (1)
Weight, g/mol:	387.101919
ΔH_f, kcal/mol:	17.37
Dipole, Da:	6.98
IP(EA), eV:	-9.4(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-fluorophenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])F

DOS

IR

Vibrations