Geometry & MOs

Info

ID:

419063

PubChem CID:

135107412

Reduced:

N6O6C35H44 (1)

Stoich.:

A6B6C35D44 (1)

Weight, g/mol:

396.216141

ΔHf, kcal/mol:

-183.25

Dipole, Da:

5.43

IP(EA), eV:

 -9.47(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=NOC(=C4)C

DOS

IR

Vibrations