Geometry & MOs

Info

ID:	209245
PubChem CID:	80642530
Reduced:	NOSCl2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	294.973774
ΔH_f, kcal/mol:	-44.05
Dipole, Da:	5.32
IP(EA), eV:	-9.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-(3-chlorothiophen-2-yl)quinazolin-4-amine

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCl)C(=O)C2=C(C=CS2)Cl

DOS

IR

Vibrations