Geometry & MOs

Info

ID:	271228
PubChem CID:	103648823
Reduced:	NOC4H7 (2)
Stoich.:	ABC4D7 (2)
Weight, g/mol:	413.94322
ΔH_f, kcal/mol:	-105.65
Dipole, Da:	1.92
IP(EA), eV:	-9.98(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(4-cyano-2-fluorophenyl)methyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H]1CCC(=O)N1

DOS

IR

Vibrations