Geometry & MOs

Info

ID:	28429
PubChem CID:	827543
Reduced:	NSC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	249.009579
ΔH_f, kcal/mol:	116.22
Dipole, Da:	0.71
IP(EA), eV:	-5.28(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-nitrophenyl)thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[N+](C)(C)C1=CC=C(C=C1)SSC2=CC=C(C=C2)[N+](C)(C)C

DOS

IR

Vibrations