Geometry & MOs

Info

ID:	274424
PubChem CID:	103809226
Reduced:	OSN3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-38.65
Dipole, Da:	2.66
IP(EA), eV:	-8.82(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC(=O)C(C)(C)N2CCNCC2

DOS

IR

Vibrations