Geometry & MOs

Info

ID:	343748
PubChem CID:	127266924
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	244.134241
ΔH_f, kcal/mol:	36.27
Dipole, Da:	5.08
IP(EA), eV:	-9.1(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC2=CC=CC=C2S1)N3CCC(C3)C4=NC=CN4

DOS

IR

Vibrations