Geometry & MOs

Info

ID:	80329
PubChem CID:	49834060
Reduced:	ON4H20C21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	358.179361
ΔH_f, kcal/mol:	41.78
Dipole, Da:	6.84
IP(EA), eV:	-8.93(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-(4-methylpyridin-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC(=O)C2=CN=C(C=C2)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations