Geometry & MOs

Info

ID:	176034
PubChem CID:	75984961
Reduced:	O9C28H36 (1)
Stoich.:	A9B28C36 (1)
Weight, g/mol:	410.33961
ΔH_f, kcal/mol:	-333.32
Dipole, Da:	2.17
IP(EA), eV:	-8.36(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpropanoyloxy)ethyl octadec-9-enoate

Drug info:

PubChemData

Smile

CCCCC(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3CC(C1(C)O)C)OCO4)OC)OC)OC)OC

DOS

IR

Vibrations