Geometry & MOs

Info

ID:	19107
PubChem CID:	554956
Reduced:	N3O3H17C26 (1)
Stoich.:	A3B3C17D26 (1)
Weight, g/mol:	419.126991
ΔH_f, kcal/mol:	80.82
Dipole, Da:	6.74
IP(EA), eV:	-9.12(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-naphthalen-1-ylethenyl)-3-(4-nitrophenyl)quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C=CC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations