Geometry & MOs

Info

ID:	139818
PubChem CID:	52601833
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	310.144806
ΔH_f, kcal/mol:	-4.6
Dipole, Da:	3.76
IP(EA), eV:	-9.15(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CN(C)CC2=C(ON=C2C)C)C

DOS

IR

Vibrations