Geometry & MOs

Info

ID:	362646
PubChem CID:	127308924
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-71.51
Dipole, Da:	6.03
IP(EA), eV:	-9.44(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylcyclohexyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCCC1NC(=O)N2CCOC(C2)CN3C=CC=N3

DOS

IR

Vibrations