Geometry & MOs

Info

ID:	244411
PubChem CID:	99350729
Reduced:	BrFN2O2C19H20 (1)
Stoich.:	ABC2D2E19F20 (1)
Weight, g/mol:	398.13972
ΔH_f, kcal/mol:	-76.37
Dipole, Da:	3.2
IP(EA), eV:	-7.87(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)C3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations