Geometry & MOs

Info

ID:	294074
PubChem CID:	117426321
Reduced:	NO5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	-191.2
Dipole, Da:	4.4
IP(EA), eV:	-9.21(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dimethyl-1H-indol-6-yl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COCC1=C(C=CC(=C1C(CC(=O)O)N)OC)OC

DOS

IR

Vibrations