Geometry & MOs

Info

ID:	48198
PubChem CID:	10537845
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-70.55
Dipole, Da:	1.59
IP(EA), eV:	-8.52(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-cyanoundec-4-enoate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)/C(=N/OC)/OC

DOS

IR

Vibrations