Geometry & MOs

Info

ID:	386498
PubChem CID:	134981934
Reduced:	OCl3C6H7 (1)
Stoich.:	AB3C6D7 (1)
Weight, g/mol:	336.302831
ΔH_f, kcal/mol:	-39.17
Dipole, Da:	2.7
IP(EA), eV:	-10.16(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (9E,11E)-9-propan-2-yloctadeca-9,11-dienoate

Drug info:

PubChemData

Smile

CC(=C=C)C(C(Cl)(Cl)Cl)O

DOS

IR

Vibrations