Geometry & MOs

Info

ID:	27230
PubChem CID:	819797
Reduced:	ClNSH6C11 (1)
Stoich.:	ABCD6E11 (1)
Weight, g/mol:	246.030839
ΔH_f, kcal/mol:	56.44
Dipole, Da:	2.77
IP(EA), eV:	-8.99(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-chloropyridazino[6,1-b]quinazolin-10-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C=CN=C3Cl

DOS

IR

Vibrations