Geometry & MOs

Info

ID:	32216
PubChem CID:	6435948
Reduced:	N2O2H8C11 (2)
Stoich.:	A2B2C8D11 (2)
Weight, g/mol:	370.10659
ΔH_f, kcal/mol:	36.19
Dipole, Da:	6.13
IP(EA), eV:	-8.89(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-nitropyridin-2-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations