Geometry & MOs

Info

ID:	62336
PubChem CID:	26719317
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	317.081871
ΔH_f, kcal/mol:	-152.03
Dipole, Da:	1.03
IP(EA), eV:	-8.3(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-chloro-N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(N1)C(=O)NC2=CC=C(C=C2)OCC)C)C(=O)OC

DOS

IR

Vibrations