Geometry & MOs

Info

ID:	1106
PubChem CID:	3794
Reduced:	N3O3H15C16 (1)
Stoich.:	A3B3C15D16 (1)
Weight, g/mol:	297.111341
ΔH_f, kcal/mol:	-33.72
Dipole, Da:	3.66
IP(EA), eV:	-8.44(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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)OC

DOS

IR

Vibrations