Geometry & MOs

Info

ID:	274319
PubChem CID:	103808541
Reduced:	BrFON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-87.62
Dipole, Da:	3.45
IP(EA), eV:	-9.4(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NC1=C(C=CC(=C1)F)Br)N

DOS

IR

Vibrations