Geometry & MOs

Info

ID:	383998
PubChem CID:	134976141
Reduced:	OC16H21 (2)
Stoich.:	AB16C21 (2)
Weight, g/mol:	336.23006
ΔH_f, kcal/mol:	-6.13
Dipole, Da:	1.17
IP(EA), eV:	-8.68(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (16S,17S)-16,17-dihydroxynonadeca-10,13-diynoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCCC#CCCCCCCCCC#CCCCC2=CC=CC=C2OC

DOS

IR

Vibrations