Geometry & MOs

Info

ID:	412228
PubChem CID:	135085111
Reduced:	NOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-46.22
Dipole, Da:	2.94
IP(EA), eV:	-9.76(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5S)-5-hydroxyundec-10-en-2-ynoate

Drug info:

PubChemData

Smile

CCCCCCCCC1=CN=CO1

DOS

IR

Vibrations