Geometry & MOs

Info

ID:	11268
PubChem CID:	112711
Reduced:	O3C44H78 (1)
Stoich.:	A3B44C78 (1)
Weight, g/mol:	654.595096
ΔH_f, kcal/mol:	-278.38
Dipole, Da:	1.98
IP(EA), eV:	-8.38(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl] hexadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC1=C(C(=C2C(=C1)CC(C(O2)C)CCCC(C)CCCC(C)CCCC(C)C)C)C

DOS

IR

Vibrations