Geometry & MOs

Info

ID:	129247
PubChem CID:	51072044
Reduced:	ClON4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	179.0041
ΔH_f, kcal/mol:	-24.0
Dipole, Da:	4.87
IP(EA), eV:	-8.82(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-thiophen-3-ylprop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=C3CNC(=O)N(C3=CC=C2)CC4=CC=CC=C4.Cl

DOS

IR

Vibrations