Geometry & MOs

Info

ID:	361979
PubChem CID:	127304991
Reduced:	FON4C19H25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	345.208613
ΔH_f, kcal/mol:	-61.32
Dipole, Da:	7.26
IP(EA), eV:	-8.81(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpiperidin-2-yl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)C2=C3C(=CC(=C2)F)N=C(C(=N3)C)C

DOS

IR

Vibrations