Geometry & MOs

Info

ID:	371647
PubChem CID:	131269696
Reduced:	BrClINH4C6 (1)
Stoich.:	ABCDE4F6 (1)
Weight, g/mol:	211.040006
ΔH_f, kcal/mol:	29.63
Dipole, Da:	3.38
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-amino-4-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Cl)I)Br)N

DOS

IR

Vibrations