Geometry & MOs

Info

ID:	374201
PubChem CID:	131325357
Reduced:	OSN2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	232.055801
ΔH_f, kcal/mol:	31.23
Dipole, Da:	4.32
IP(EA), eV:	-8.7(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methylphenyl)methyl]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1C=CS2)C(CC#N)N

DOS

IR

Vibrations