Geometry & MOs

Info

ID:	18520
PubChem CID:	542226
Reduced:	O4C15H26 (1)
Stoich.:	A4B15C26 (1)
Weight, g/mol:	270.183109
ΔH_f, kcal/mol:	-181.21
Dipole, Da:	4.92
IP(EA), eV:	-9.9(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 11,13-dihydroxytetradec-5-ynoate

Drug info:

PubChemData

Smile

CC(CC(CCCCC#CCCCC(=O)OC)O)O

DOS

IR

Vibrations