Geometry & MOs

Info

ID:	347139
PubChem CID:	127271643
Reduced:	OS2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	2.77
Dipole, Da:	3.85
IP(EA), eV:	-8.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)NC2CCC3CCCCC3C2)C4=CC=CS4

DOS

IR

Vibrations