Geometry & MOs

Info

ID:

127851

PubChem CID:

51019407

Reduced:

N3O4C24H35 (1)

Stoich.:

A3B4C24D35 (1)

Weight, g/mol:

395.209658

ΔHf, kcal/mol:

-161.52

Dipole, Da:

9.0

IP(EA), eV:

 -8.91(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,4S)-7,7-dimethyl-2-phenyl-1-bicyclo[2.2.1]hept-2-enyl]-[(1S,2R,6R,7R)-4,4-dimethyl-3,5,8-trioxa-9-azatricyclo[5.2.1.02,6]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CC1[C@@H]2C[C@H](CN(C2)CC(COC3=CC=C(C=C3)C#N)O)C(N1C(=O)OC(C)(C)C)C

DOS

IR

Vibrations