Geometry & MOs

Info

ID:	6523
PubChem CID:	68807
Reduced:	ClO4C37H55 (1)
Stoich.:	AB4C37D55 (1)
Weight, g/mol:	598.378888
ΔH_f, kcal/mol:	-232.56
Dipole, Da:	5.12
IP(EA), eV:	-8.46(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 2-(4-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)COC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations