Geometry & MOs

Info

ID:

190934

PubChem CID:

78080244

Reduced:

O3N4C29H36 (2)

Stoich.:

A3B4C29D36 (2)

Weight, g/mol:

354.222636

ΔHf, kcal/mol:

-194.35

Dipole, Da:

4.32

IP(EA), eV:

 -8.56(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-2-oxo-1,3,4,5,6,7,8,8a-octahydronaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1C2CCCCC2CC1C3=NC=C(N3)C4=CC=C(C=C4)C5=C6CCC7=CC=C(CCC(=C5)C(=C6)C8=CN=C(N8)C9CC1CCCCC1N9C(=O)C(C(C)C)NC(=O)OC)C=C7)NC(=O)OC

DOS

IR

Vibrations