Geometry & MOs

Info

ID:	294225
PubChem CID:	117438498
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	-32.08
Dipole, Da:	10.22
IP(EA), eV:	-8.79(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2=C(S1)C(=CC=C2)C3=CC(=NN3C)C(=O)O

DOS

IR

Vibrations