Geometry & MOs

Info

ID:

334777

PubChem CID:

127253452

Reduced:

N3O4H25C29 (1)

Stoich.:

A3B4C25D29 (1)

Weight, g/mol:

492.273656

ΔHf, kcal/mol:

-37.89

Dipole, Da:

3.77

IP(EA), eV:

 -8.4(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1S,9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CCCN3C4=C(C5=C(C3=O)C(=C(C=C5)OC)OC)C(=O)C6=CC=CC=C64

DOS

IR

Vibrations