Geometry & MOs

Info

ID:	138840
PubChem CID:	52433373
Reduced:	ClON2H9C11 (2)
Stoich.:	ABC2D9E11 (2)
Weight, g/mol:	427.174336
ΔH_f, kcal/mol:	32.34
Dipole, Da:	4.15
IP(EA), eV:	-8.78(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC2=NN(N=C2C=C1NC(=O)[C@H](C3=CC=CC=C3Cl)OC)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations