Geometry & MOs

Info

ID:	150524
PubChem CID:	53790217
Reduced:	BO3H15C22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	478.474981
ΔH_f, kcal/mol:	31.25
Dipole, Da:	4.13
IP(EA), eV:	-7.98(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methylnonyl docos-13-enoate

Drug info:

PubChemData

Smile

[B]C1(C=CC2=C(O1)C3=CC=CC=C3C4=C2C(=O)OC5=C4C=CC(=C5)C)C

DOS

IR

Vibrations