Geometry & MOs

Info

ID:	267887
PubChem CID:	103590159
Reduced:	BrFSN2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	265.15904
ΔH_f, kcal/mol:	3.76
Dipole, Da:	3.03
IP(EA), eV:	-8.66(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)N(C)CC2=CC(=CS2)Br

DOS

IR

Vibrations