Geometry & MOs

Info

ID:	217085
PubChem CID:	85087224
Reduced:	OC7H10 (3)
Stoich.:	AB7C10 (3)
Weight, g/mol:	330.27701
ΔH_f, kcal/mol:	-137.66
Dipole, Da:	4.06
IP(EA), eV:	-9.34(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 10,13-dihydroxyoctadecanoate

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OC(=O)C(=C)C(C)O)C(C)(C)C2=CC=CC=C2

DOS

IR

Vibrations