Geometry & MOs

Info

ID:	221568
PubChem CID:	85279907
Reduced:	NO3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	198.079313
ΔH_f, kcal/mol:	-124.39
Dipole, Da:	3.48
IP(EA), eV:	-9.57(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-ethoxyethyl)oct-4-en-2,6-diynedinitrile

Drug info:

PubChemData

Smile

CC(=O)OC1C=CCN2C1CCC2=O

DOS

IR

Vibrations