Geometry & MOs

Info

ID:	141233
PubChem CID:	52843783
Reduced:	N3O4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	326.119734
ΔH_f, kcal/mol:	-90.64
Dipole, Da:	0.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753469
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

C1C[NH+](CCC1NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)CCC4=CC=NC=C4

DOS

IR

Vibrations