Geometry & MOs

Info

ID:	2054
PubChem CID:	5676
Reduced:	O5C35H58 (1)
Stoich.:	A5B35C58 (1)
Weight, g/mol:	558.428425
ΔH_f, kcal/mol:	-320.61
Dipole, Da:	6.91
IP(EA), eV:	-8.6(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-[[2,5,7,8-tetramethyl-2-(4,4,8,8,12-pentamethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)(C)CCCC(C)(C)CCCC(C)C)C)OC(=O)CCC(=O)O)C

DOS

IR

Vibrations