Geometry & MOs

Info

ID:	362262
PubChem CID:	127307275
Reduced:	ON7C16H25 (1)
Stoich.:	AB7C16D25 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	22.2
Dipole, Da:	5.5
IP(EA), eV:	-8.81(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NN=C2N1C=CC=C2)NC(=O)NCC3CN(CCN3C)C

DOS

IR

Vibrations