Geometry & MOs

Info

ID:	395166
PubChem CID:	135024831
Reduced:	N2H7C9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	286.121846
ΔH_f, kcal/mol:	122.61
Dipole, Da:	3.72
IP(EA), eV:	-8.8(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-isoquinolin-7-ylisoquinoline-7,8-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC2=C1C=CN=C2)NC3C(=N)C=CC4=C3C=NC=C4

DOS

IR

Vibrations