Geometry & MOs

Info

ID:	269492
PubChem CID:	103617739
Reduced:	INF2O2H10C14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-103.17
Dipole, Da:	3.12
IP(EA), eV:	-8.56(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-oxo-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=C(C=C(C=C2)F)I)F

DOS

IR

Vibrations