Geometry & MOs

Info

ID:	48051
PubChem CID:	10536801
Reduced:	ON4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	218.040151
ΔH_f, kcal/mol:	93.97
Dipole, Da:	6.25
IP(EA), eV:	-9.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylphenyl)thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)N=[N+](C1=CC=C(C=C1)C=[N+]=[N-])[O-]

DOS

IR

Vibrations