Geometry & MOs

Info

ID:	362312
PubChem CID:	127307341
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-67.92
Dipole, Da:	1.43
IP(EA), eV:	-8.73(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-benzyl-2-methyl-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCC1)C(=O)NCC(=O)N2CCCC3=CC=CC=C32

DOS

IR

Vibrations