Geometry & MOs

Info

ID:	187570
PubChem CID:	77593359
Reduced:	BrNO3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	359.1333
ΔH_f, kcal/mol:	-63.16
Dipole, Da:	3.84
IP(EA), eV:	-9.87(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[bis(3-fluorophenyl)methyl]-2-oxopiperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=CC=NC(=O)C2C(=O)O)Br

DOS

IR

Vibrations