Geometry & MOs

Info

ID:	128216
PubChem CID:	51035894
Reduced:	ON5C25H35 (1)
Stoich.:	AB5C25D35 (1)
Weight, g/mol:	442.15157
ΔH_f, kcal/mol:	20.16
Dipole, Da:	2.84
IP(EA), eV:	-8.08(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5-tetrafluoro-6-[(6-octoxypyridin-3-yl)carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)CN1C2=C(N=C(C=C2)N3CC4CC3CN4CC5CC6CC5C=C6)N(C1=O)C

DOS

IR

Vibrations