Geometry & MOs

Info

ID:	171844
PubChem CID:	75433211
Reduced:	FN3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	375.159434
ΔH_f, kcal/mol:	-31.35
Dipole, Da:	5.9
IP(EA), eV:	-9.79(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3-fluoropyridin-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=N2)F)[N+](=O)[O-]

DOS

IR

Vibrations