Geometry & MOs

Info

ID:	129231
PubChem CID:	51072006
Reduced:	Cl2O2N3C6H7 (1)
Stoich.:	A2B2C3D6E7 (1)
Weight, g/mol:	241.964983
ΔH_f, kcal/mol:	-74.35
Dipole, Da:	4.13
IP(EA), eV:	-9.5(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8-dichloro-7-nitroisoquinoline

Drug info:

PubChemData

Smile

C1=C(C(=CN=C1NN)Cl)C(=O)O.Cl

DOS

IR

Vibrations