Geometry & MOs

Info

ID:	15170
PubChem CID:	431795
Reduced:	ClCuN5O6H13C14 (1)
Stoich.:	ABC5D6E13F14 (1)
Weight, g/mol:	444.985033
ΔH_f, kcal/mol:	30.07
Dipole, Da:	8.53
IP(EA), eV:	-6.92(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-pyridin-2-yl-3H-isoquinolin-2-id-1-amine;copper(1+);nitric acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2C=C3C(=C([N-]2)N)C=CC=C3Cl.[N+](=O)(O)[O-].[N+](=O)(O)[O-].[Cu+]

DOS

IR

Vibrations