Geometry & MOs

Info

ID:	314793
PubChem CID:	126623207
Reduced:	BrFO3N6C12H13 (1)
Stoich.:	ABC3D6E12F13 (1)
Weight, g/mol:	345.01243
ΔH_f, kcal/mol:	-76.04
Dipole, Da:	2.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.791208
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-bromopyridin-2-yl)carbamoyl]-4-fluoro-4-methylpyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C(N(CC1(CN=[N+]=N)F)C(=O)O)C(=O)NC2=NC(=CC=C2)Br

DOS

IR

Vibrations