Geometry & MOs

Info

ID:	314835
PubChem CID:	126623586
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	395.96879
ΔH_f, kcal/mol:	-76.12
Dipole, Da:	2.68
IP(EA), eV:	-8.89(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCOC1=CC=CC(=N1)NC(=O)C2CCCN2

DOS

IR

Vibrations