Geometry & MOs

Info

ID:	18033
PubChem CID:	534851
Reduced:	O2C19H34 (1)
Stoich.:	A2B19C34 (1)
Weight, g/mol:	294.25588
ΔH_f, kcal/mol:	-113.14
Dipole, Da:	1.67
IP(EA), eV:	-9.84(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl octadec-11-ynoate

Drug info:

PubChemData

Smile

CCCCCCC#CCCCCCCCCCC(=O)OC

DOS

IR

Vibrations