Geometry & MOs

Info

ID:	357453
PubChem CID:	127294086
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	382.156243
ΔH_f, kcal/mol:	-66.08
Dipole, Da:	1.83
IP(EA), eV:	-8.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylsulfonyl-N-(1,4-dioxan-2-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC(CO1)CNC(=O)CN2C3=CC=CC=C3C=N2

DOS

IR

Vibrations