Geometry & MOs

Info

ID:	201512
PubChem CID:	79549700
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-42.45
Dipole, Da:	2.27
IP(EA), eV:	-8.18(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CC(CC1CCCCN1)NC2=CC=CC(=C2)COC

DOS

IR

Vibrations