Geometry & MOs

Info

ID:	146024
PubChem CID:	53624636
Reduced:	N3O3C13H25 (1)
Stoich.:	A3B3C13D25 (1)
Weight, g/mol:	333.128883
ΔH_f, kcal/mol:	-95.86
Dipole, Da:	2.82
IP(EA), eV:	-9.45(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C(C)(C)C)N(C)CC(COC)O

DOS

IR

Vibrations