Geometry & MOs

Info

ID:	31480
PubChem CID:	855771
Reduced:	SN2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	71.69
Dipole, Da:	3.18
IP(EA), eV:	-8.67(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N=C1SCC3=CN=CC=C3

DOS

IR

Vibrations