Geometry & MOs

Info

ID:	358906
PubChem CID:	127296797
Reduced:	SO3N6C17H28 (1)
Stoich.:	AB3C6D17E28 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-90.75
Dipole, Da:	3.19
IP(EA), eV:	-8.8(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpiperazine-1-carbonyl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CN=CC=C1)NC(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C

DOS

IR

Vibrations