Geometry & MOs

Info

ID:	1107
PubChem CID:	3795
Reduced:	BrN3O3H14C16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	375.02185
ΔH_f, kcal/mol:	-32.02
Dipole, Da:	4.81
IP(EA), eV:	-8.42(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations