Geometry & MOs

Info

ID:	369916
PubChem CID:	127336762
Reduced:	SO2N6C17H28 (1)
Stoich.:	AB2C6D17E28 (1)
Weight, g/mol:	393.252861
ΔH_f, kcal/mol:	-35.21
Dipole, Da:	3.84
IP(EA), eV:	-8.54(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(S(=O)CCN1C(=O)NCCN2CCN(CC2)C3=NC=CC=N3)C

DOS

IR

Vibrations