Geometry & MOs

Info

ID:	387765
PubChem CID:	134986800
Reduced:	SSeC8H12 (1)
Stoich.:	ABC8D12 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	48.84
Dipole, Da:	2.6
IP(EA), eV:	-8.41(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-anilino-2-cyano-3-ethoxyprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)SC(=C)[Se]CC#C

DOS

IR

Vibrations