Geometry & MOs

Info

ID:	128790
PubChem CID:	51058069
Reduced:	ClNO4H18C20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	304.053404
ΔH_f, kcal/mol:	-79.74
Dipole, Da:	6.57
IP(EA), eV:	-9.07(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)isoquinolin-1-amine;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=C(C(=CC=C1)OC)OCC2=CC=C(C=C2)Cl)/C#N

DOS

IR

Vibrations