Geometry & MOs

Info

ID:	184546
PubChem CID:	77174806
Reduced:	ClN3O4C10H12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	194.013457
ΔH_f, kcal/mol:	-89.67
Dipole, Da:	2.12
IP(EA), eV:	-10.09(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzofuran-3-yl)-2-chloroethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CC(=N1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations