Geometry & MOs

Info

ID:	56365
PubChem CID:	17425186
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-97.42
Dipole, Da:	5.38
IP(EA), eV:	-8.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)NC2=CC=CC=C2SCC(=O)N

DOS

IR

Vibrations