Geometry & MOs

Info

ID:	227482
PubChem CID:	87561831
Reduced:	O4C21H32 (1)
Stoich.:	A4B21C32 (1)
Weight, g/mol:	402.313395
ΔH_f, kcal/mol:	-134.46
Dipole, Da:	5.18
IP(EA), eV:	-9.43(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(3E,6E,9E,12E,15Z)-octadeca-3,6,9,12,15-pentaenoxy]butanoate

Drug info:

PubChemData

Smile

CC/C=C\C/C=C/C/C=C/C/C=C/C/C=C/CCOC(C(=O)O)OC

DOS

IR

Vibrations