Geometry & MOs

Info

ID:	227692
PubChem CID:	87562242
Reduced:	O2C13H20 (2)
Stoich.:	A2B13C20 (2)
Weight, g/mol:	447.371244
ΔH_f, kcal/mol:	-137.72
Dipole, Da:	5.23
IP(EA), eV:	-9.46(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butylazanium;2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoate

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCOC(C(=O)O)OCC

DOS

IR

Vibrations