Geometry & MOs

Info

ID:	267715
PubChem CID:	103585928
Reduced:	OSF2N3H11C12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	282.15437
ΔH_f, kcal/mol:	-90.41
Dipole, Da:	4.85
IP(EA), eV:	-8.93(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluoro-4-methylphenyl)-3-ethylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)NC(=O)CC2=CSC(=N2)N)F

DOS

IR

Vibrations