Geometry & MOs

Info

ID:	1568
PubChem CID:	4705
Reduced:	BrO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	359.02694
ΔH_f, kcal/mol:	12.37
Dipole, Da:	2.93
IP(EA), eV:	-8.77(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations