Geometry & MOs

Info

ID:	269566
PubChem CID:	103617981
Reduced:	FO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	403.00562
ΔH_f, kcal/mol:	-70.57
Dipole, Da:	5.01
IP(EA), eV:	-8.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)benzamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=N1)NC(=O)C2=C(C=C(C=C2)OC)F

DOS

IR

Vibrations