Geometry & MOs

Info

ID:	398322
PubChem CID:	135032826
Reduced:	BrO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-50.24
Dipole, Da:	1.62
IP(EA), eV:	-8.38(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethylindol-1-yl)-2,3-dimethoxyphenol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)O)C2CCC=C2Br

DOS

IR

Vibrations