Geometry & MOs

Info

ID:	343749
PubChem CID:	127266925
Reduced:	ClON2C12H21 (1)
Stoich.:	ABC2D12E21 (1)
Weight, g/mol:	297.104418
ΔH_f, kcal/mol:	-67.12
Dipole, Da:	5.06
IP(EA), eV:	-8.93(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)N1CCC=C(C1)Cl

DOS

IR

Vibrations