Geometry & MOs

Info

ID:	209517
PubChem CID:	80682538
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-27.32
Dipole, Da:	2.46
IP(EA), eV:	-8.89(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNC(=O)CC2CCCNC2

DOS

IR

Vibrations