Geometry & MOs

Info

ID:	26195
PubChem CID:	640756
Reduced:	OC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	314.96617
ΔH_f, kcal/mol:	34.64
Dipole, Da:	0.49
IP(EA), eV:	-8.21(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-[2-chloro-1-(methoxymethyl)indol-3-yl]ethanone

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C=C1C#C)OCCC)C#C

DOS

IR

Vibrations