Geometry & MOs

Info

ID:	349513
PubChem CID:	127275400
Reduced:	OSN4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	0.79
Dipole, Da:	2.07
IP(EA), eV:	-8.85(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)N2CCC(CC2)C#N

DOS

IR

Vibrations