Geometry & MOs

Info

ID:

415223

PubChem CID:

135088215

Reduced:

O5N7C36H47 (1)

Stoich.:

A5B7C36D47 (1)

Weight, g/mol:

290.174276

ΔHf, kcal/mol:

-173.98

Dipole, Da:

7.32

IP(EA), eV:

 -9.37(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(methylamino)pyridin-3-yl]-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-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)CN4C=CN=C4C

DOS

IR

Vibrations