Geometry & MOs

Info

ID:

45139

PubChem CID:

10508310

Reduced:

NO3H16C20 (2)

Stoich.:

AB3C16D20 (2)

Weight, g/mol:

636.414247

ΔHf, kcal/mol:

-96.75

Dipole, Da:

6.72

IP(EA), eV:

 -9.52(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,7-bis[(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-3,7-diazabicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(C1=O)C3=C(N2CC4=CC=CC=C4)CCCC3=O)C5=C(C(=O)C6=C(C5=O)N(C7=C6C(=O)CCC7)CC8=CC=CC=C8)C

DOS

IR

Vibrations