Geometry & MOs

Info

ID:	217450
PubChem CID:	85087843
Reduced:	SeO3C18H22 (1)
Stoich.:	AB3C18D22 (1)
Weight, g/mol:	365.162708
ΔH_f, kcal/mol:	-81.87
Dipole, Da:	5.31
IP(EA), eV:	-9.07(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-hydroxy-5-methoxy-1,3-dimethyl-2-(4-methylphenyl)indol-7-yl]-2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC1C=CCCC2(OCCO2)CC(=O)[Se]C3=CC=CC=C3

DOS

IR

Vibrations