Geometry & MOs

Info

ID:	148624
PubChem CID:	53788292
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	612.511761
ΔH_f, kcal/mol:	-47.86
Dipole, Da:	1.61
IP(EA), eV:	-9.05(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-octadeca-9,12-dienoyloxybut-2-enyl octadeca-9,12-dienoate

Drug info:

PubChemData

Smile

C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)O[N+](=O)[O-]

DOS

IR

Vibrations