Geometry & MOs

Info

ID:	13480
PubChem CID:	235711
Reduced:	OC9H16 (2)
Stoich.:	AB9C16 (2)
Weight, g/mol:	280.24023
ΔH_f, kcal/mol:	-110.57
Dipole, Da:	5.07
IP(EA), eV:	-10.27(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octadec-6-ynoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC#CCCCCC(=O)O

DOS

IR

Vibrations