Geometry & MOs

Info

ID:	83928
PubChem CID:	49862594
Reduced:	O3N4C24H36 (1)
Stoich.:	A3B4C24D36 (1)
Weight, g/mol:	292.021497
ΔH_f, kcal/mol:	-95.56
Dipole, Da:	2.46
IP(EA), eV:	-9.36(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-3-cyano-5-fluorobenzamide

Drug info:

PubChemData

Smile

CCCCCCCC1=NC(=NO1)C2=CC=C(C=C2)[C@H](C(C)C)NC(=O)[C@@H]3[C@H](CCN3)O

DOS

IR

Vibrations