Geometry & MOs

Info

ID:	120782
PubChem CID:	50744175
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	406.112899
ΔH_f, kcal/mol:	-115.78
Dipole, Da:	8.25
IP(EA), eV:	-8.72(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(benzylamino)-2-oxochromen-3-yl]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)NC(=O)CC3=CC(=CC=C3)OC)OC1=O

DOS

IR

Vibrations