Geometry & MOs

Info

ID:	28202
PubChem CID:	826253
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-41.64
Dipole, Da:	1.55
IP(EA), eV:	-8.57(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dimethyl-1H-indol-5-yl)acetic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)[C@H](CN2CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations