Geometry & MOs

Info

ID:	62309
PubChem CID:	26719133
Reduced:	BrN2O5H15C16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	350.96617
ΔH_f, kcal/mol:	-61.72
Dipole, Da:	9.07
IP(EA), eV:	-9.09(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-bromophenyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)Br)OC

DOS

IR

Vibrations