Geometry & MOs

Info

ID:	144845
PubChem CID:	53422659
Reduced:	IO2C21H39 (1)
Stoich.:	AB2C21D39 (1)
Weight, g/mol:	472.297745
ΔH_f, kcal/mol:	-151.98
Dipole, Da:	3.86
IP(EA), eV:	-9.49(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 19-methyl-20-naphthalen-1-yl-20-oxoicosa-5,8,11,14-tetraenoate

Drug info:

PubChemData

Smile

CC(C)(CCCCCCCCCCCCCCC=CI)CC(=O)O

DOS

IR

Vibrations