Geometry & MOs

Info

ID:	209229
PubChem CID:	80641074
Reduced:	BrClSN3H7C12 (1)
Stoich.:	ABCD3E7F12 (1)
Weight, g/mol:	289.044046
ΔH_f, kcal/mol:	81.82
Dipole, Da:	3.29
IP(EA), eV:	-8.95(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorothiophen-2-yl)-N,6-dimethylquinazolin-4-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=NC(=N2)C3=C(C=CS3)Cl)N

DOS

IR

Vibrations