Geometry & MOs

Info

ID:	20385
PubChem CID:	583657
Reduced:	NO2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	239.094629
ΔH_f, kcal/mol:	-32.76
Dipole, Da:	4.55
IP(EA), eV:	-8.6(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylanilino)-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)O2

DOS

IR

Vibrations