Geometry & MOs

Info

ID:	67
PubChem CID:	2051
Reduced:	ClO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	315.077454
ΔH_f, kcal/mol:	-0.93
Dipole, Da:	5.98
IP(EA), eV:	-8.59(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC

DOS

IR

Vibrations