Geometry & MOs

Info

ID:	244410
PubChem CID:	99350707
Reduced:	F3O3N4C25H25 (1)
Stoich.:	A3B3C4D25E25 (1)
Weight, g/mol:	406.06922
ΔH_f, kcal/mol:	-181.78
Dipole, Da:	7.41
IP(EA), eV:	-7.94(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-fluoro-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)NC[C@@H]3CCN(C3)C4=CC=CC=C4OC

DOS

IR

Vibrations