Geometry & MOs

Info

ID:	131870
PubChem CID:	51272251
Reduced:	ClON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	382.12772
ΔH_f, kcal/mol:	-10.6
Dipole, Da:	6.26
IP(EA), eV:	-9.45(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)C1=CN(N=C1)CC2=CC=CC=C2Cl

DOS

IR

Vibrations