Geometry & MOs

Info

ID:	358920
PubChem CID:	127296811
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	399.299811
ΔH_f, kcal/mol:	-54.87
Dipole, Da:	4.31
IP(EA), eV:	-9.59(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)N2CCC(CC2)C#N

DOS

IR

Vibrations