Geometry & MOs

Info

ID:	39918
PubChem CID:	8143209
Reduced:	ClO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	357.124405
ΔH_f, kcal/mol:	-6.23
Dipole, Da:	8.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.783072
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-chlorophenyl)methyl-(2-methoxyethyl)amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

COCC[NH+](CC1=CC=CC=C1Cl)CC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations