Geometry & MOs

Info

ID:	245351
PubChem CID:	99443802
Reduced:	ClFNOC21H21 (1)
Stoich.:	ABCDE21F21 (1)
Weight, g/mol:	356.05357
ΔH_f, kcal/mol:	-24.51
Dipole, Da:	4.79
IP(EA), eV:	-9.34(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-oxopyrrolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)N(C2CC2)C(=O)[C@@H]3C[C@@H]3C4=CC=C(C=C4)F

DOS

IR

Vibrations