Geometry & MOs

Info

ID:	260485
PubChem CID:	103193303
Reduced:	BrN2O2F3C13H14 (1)
Stoich.:	AB2C2D3E13F14 (1)
Weight, g/mol:	366.01907
ΔH_f, kcal/mol:	-213.77
Dipole, Da:	2.44
IP(EA), eV:	-9.35(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1CNC1)C(=O)NC2=C(C=C(C=C2)Br)OC(F)(F)F

DOS

IR

Vibrations