Geometry & MOs

Info

ID:	227270
PubChem CID:	87560985
Reduced:	O3C20H34 (1)
Stoich.:	A3B20C34 (1)
Weight, g/mol:	558.533559
ΔH_f, kcal/mol:	-135.43
Dipole, Da:	4.33
IP(EA), eV:	-10.03(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propanedioate;tripentylazanium

Drug info:

PubChemData

Smile

CC[C@@H]1C(O1)CCCCC#CCCCCCCCCCC(=O)O

DOS

IR

Vibrations