Geometry & MOs

Info

ID:	338493
PubChem CID:	127259185
Reduced:	Cl2O3N4C8H8 (1)
Stoich.:	A2B3C4D8E8 (1)
Weight, g/mol:	338.0266
ΔH_f, kcal/mol:	-83.25
Dipole, Da:	5.28
IP(EA), eV:	-8.79(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-2-ethylquinazolin-4-yl)oxyethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C=O)NC1=NC(=C(N=C1Cl)Cl)N

DOS

IR

Vibrations