Geometry & MOs

Info

ID:	30207
PubChem CID:	840714
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	226.980777
ΔH_f, kcal/mol:	-28.02
Dipole, Da:	3.54
IP(EA), eV:	-8.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

C/C(=C/C1=CC=CC=C1)/C=NNC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations