Geometry & MOs

Info

ID:	294224
PubChem CID:	117438491
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	-12.38
Dipole, Da:	4.33
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C1)SC2=CC=CC=C2C3=NNC(=C3)C(=O)O

DOS

IR

Vibrations