Geometry & MOs

Info

ID:	371174
PubChem CID:	127343997
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-90.93
Dipole, Da:	3.09
IP(EA), eV:	-8.72(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclohexyloxyethyl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OCCNC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations