Geometry & MOs

Info

ID:	271119
PubChem CID:	103643935
Reduced:	O2F3N3C13H14 (1)
Stoich.:	A2B3C3D13E14 (1)
Weight, g/mol:	358.99309
ΔH_f, kcal/mol:	-168.22
Dipole, Da:	3.48
IP(EA), eV:	-9.49(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-2-iodobenzamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CCNCC2=CC(=CC=C2)OC(F)(F)F

DOS

IR

Vibrations