Geometry & MOs

Info

ID:	15171
PubChem CID:	431796
Reduced:	ClN3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	257.071975
ΔH_f, kcal/mol:	73.76
Dipole, Da:	5.08
IP(EA), eV:	-7.46(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-pyridin-2-yl-2,3-dihydroisoquinolin-1-amine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2C=C3C(=C(N2)N)C=CC=C3Cl

DOS

IR

Vibrations