Geometry & MOs

Info

ID:	361101
PubChem CID:	127302017
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-108.47
Dipole, Da:	4.65
IP(EA), eV:	-8.47(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)C2CCN(CC2)C(=O)COC3=CC=CC=C3)C

DOS

IR

Vibrations