Geometry & MOs

Info

ID:	250128
PubChem CID:	103094331
Reduced:	ClON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	287.08254
ΔH_f, kcal/mol:	-27.48
Dipole, Da:	3.13
IP(EA), eV:	-9.11(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloropyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(NCC1)C(=O)NC2=C(C=CC=N2)Cl

DOS

IR

Vibrations