Geometry & MOs

Info

ID:

219632

PubChem CID:

85163937

Reduced:

NO7C28H45 (1)

Stoich.:

AB7C28D45 (1)

Weight, g/mol:

507.374386

ΔHf, kcal/mol:

-353.26

Dipole, Da:

2.58

IP(EA), eV:

 -9.62(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-(7-hydroxyocta-1,3-dienyl)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)O)OC(=O)NCC4CCCCC4)C)O)C

DOS

IR

Vibrations