Geometry & MOs

Info

ID:	55302
PubChem CID:	17390028
Reduced:	OSN2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	257.001034
ΔH_f, kcal/mol:	39.55
Dipole, Da:	3.74
IP(EA), eV:	-8.28(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dichloro-2-methyl-1H-indol-3-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C2=CN3C=CSC3=N2

DOS

IR

Vibrations