Geometry & MOs

Info

ID:	357460
PubChem CID:	127294093
Reduced:	N2O5C20H26 (1)
Stoich.:	A2B5C20D26 (1)
Weight, g/mol:	394.192629
ΔH_f, kcal/mol:	-189.65
Dipole, Da:	5.27
IP(EA), eV:	-8.17(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylsulfonyl-N-methyl-N-(oxan-2-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCCO1)C(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations