Geometry & MOs

Info

ID:	263902
PubChem CID:	103406320
Reduced:	NOSCl2H9C12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	305.038961
ΔH_f, kcal/mol:	-8.52
Dipole, Da:	5.29
IP(EA), eV:	-8.97(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-methylthiophen-2-yl)-6-methoxyquinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(=O)C2=C(C=C(C=C2)N)Cl

DOS

IR

Vibrations