Geometry & MOs

Info

ID:	209228
PubChem CID:	80640803
Reduced:	ClOSN3H6C7 (1)
Stoich.:	ABCD3E6F7 (1)
Weight, g/mol:	338.92326
ΔH_f, kcal/mol:	38.41
Dipole, Da:	2.48
IP(EA), eV:	-9.4(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(3-chlorothiophen-2-yl)quinazolin-4-amine

Drug info:

PubChemData

Smile

C1=CSC(=C1Cl)C2=NN=C(O2)CN

DOS

IR

Vibrations