Geometry & MOs

Info

ID:	379801
PubChem CID:	134464936
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-115.67
Dipole, Da:	2.69
IP(EA), eV:	-8.48(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethylphenyl)-3-(propylamino)-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC2CCCCC2)C(=O)NC3=CC=CC=C3C(=O)O

DOS

IR

Vibrations