Geometry & MOs

Info

ID:

219791

PubChem CID:

85164900

Reduced:

O2N4C39H42 (1)

Stoich.:

A2B4C39D42 (1)

Weight, g/mol:

598.317734

ΔHf, kcal/mol:

48.84

Dipole, Da:

7.46

IP(EA), eV:

 -8.87(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3,4a,7,10a-tetramethyl-1-oxo-5,8-bis(trimethylsilyloxy)-7-(trimethylsilyloxymethyl)-6,6a,8,9,10,10b-hexahydro-5H-benzo[f]chromene-2-carboxylate

Drug info:

PubChemData

Smile

COCCC1CN(CCN1C(=O)CCC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6

DOS

IR

Vibrations