Geometry & MOs

Info

ID:	203523
PubChem CID:	79840620
Reduced:	ClN2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	238.087291
ΔH_f, kcal/mol:	65.43
Dipole, Da:	4.95
IP(EA), eV:	-8.86(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-chloropyridin-4-yl)piperidin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C#C)NC1=C(C=NC=C1)Cl

DOS

IR

Vibrations