Geometry & MOs

Info

ID:

190984

PubChem CID:

78090619

Reduced:

NO4C13H17 (2)

Stoich.:

AB4C13D17 (2)

Weight, g/mol:

669.40608

ΔHf, kcal/mol:

-323.32

Dipole, Da:

9.49

IP(EA), eV:

 -8.64(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-[3-[(3,4-dimethoxyphenyl)methoxy]propoxy]-2-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

Drug info:

PubChemData

Smile

CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)O)OC(=O)CCC(=O)N3CCN(CC3)C

DOS

IR

Vibrations