Geometry & MOs

Info

ID:	27178
PubChem CID:	818950
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	213.009579
ΔH_f, kcal/mol:	-51.45
Dipole, Da:	6.07
IP(EA), eV:	-8.61(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(E)-2-nitroethenyl]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)O)C(=NNC2=NC(CC3=CC=CC=C32)(C)C)C

DOS

IR

Vibrations