Geometry & MOs

Info

ID:	227330
PubChem CID:	87561318
Reduced:	O3C30H50 (1)
Stoich.:	A3B30C50 (1)
Weight, g/mol:	104.000487
ΔH_f, kcal/mol:	-155.69
Dipole, Da:	2.06
IP(EA), eV:	-9.28(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;ethanolate;hydrochloride

Drug info:

PubChemData

Smile

CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCOC(CC)(CC)C(=O)OC(C)(C)C

DOS

IR

Vibrations