Geometry & MOs

Info

ID:	128771
PubChem CID:	51057497
Reduced:	ClON2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	8.8
Dipole, Da:	3.25
IP(EA), eV:	-8.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)isoquinolin-1-amine;hydrate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN=C2NC3=CC=C(C=C3)Cl.O

DOS

IR

Vibrations