Geometry & MOs

Info

ID:	153723
PubChem CID:	56313027
Reduced:	ClFN2O3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	355.158372
ΔH_f, kcal/mol:	-65.39
Dipole, Da:	3.66
IP(EA), eV:	-9.86(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-])C2=CC=CC=C2F

DOS

IR

Vibrations