Geometry & MOs

Info

ID:	55729
PubChem CID:	17396211
Reduced:	FN3O3H16C17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	359.096914
ΔH_f, kcal/mol:	-116.04
Dipole, Da:	2.64
IP(EA), eV:	-9.22(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-difluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C(=O)NNC(=O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations