Geometry & MOs

Info

ID:	222497
PubChem CID:	85300924
Reduced:	NC12H14 (2)
Stoich.:	AB12C14 (2)
Weight, g/mol:	344.29266
ΔH_f, kcal/mol:	54.73
Dipole, Da:	3.2
IP(EA), eV:	-8.75(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,3-dihydroxyoctadecanoate

Drug info:

PubChemData

Smile

CC1CCC(C2=C1C(=NN2CC3=CC=CC=C3)C4=CC=CC=C4)C(C)C

DOS

IR

Vibrations