Geometry & MOs

Info

ID:	234739
PubChem CID:	92303413
Reduced:	O4N6H12C15 (1)
Stoich.:	A4B6C12D15 (1)
Weight, g/mol:	333.111341
ΔH_f, kcal/mol:	64.41
Dipole, Da:	6.43
IP(EA), eV:	-9.35(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(2,3-dimethoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)/C=C(/C#N)\C2=C(C(=NN2)N)C#N)[N+](=O)[O-])OC

DOS

IR

Vibrations