Geometry & MOs

Info

ID:	56400
PubChem CID:	17425321
Reduced:	NOSC16H23 (1)
Stoich.:	ABCD16E23 (1)
Weight, g/mol:	364.166604
ΔH_f, kcal/mol:	-58.23
Dipole, Da:	4.18
IP(EA), eV:	-9.08(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)C2=CC3=C(S2)CCCC3

DOS

IR

Vibrations