Geometry & MOs

Info

ID:	430274
PubChem CID:	135170338
Reduced:	ON4H12C14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	644.50159
ΔH_f, kcal/mol:	274.46
Dipole, Da:	2.42
IP(EA), eV:	-9.25(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-[2-(8,12-dimethyl-4-propyltetradecyl)-8-ethyl-2,5,7-trimethyl-3,4-dihydrochromen-6-yl] 1-O-(2-methoxyethyl) butanedioate

Drug info:

PubChemData

Smile

C#CC12CC[C@@H]1[C@@H]3[C@H]2CN(C#C3)C(=O)C4=NNN=C4

DOS

IR

Vibrations