Geometry & MOs

Info

ID:

415361

PubChem CID:

135088355

Reduced:

N4O4C21H29 (2)

Stoich.:

A4B4C21D29 (2)

Weight, g/mol:

258.148061

ΔHf, kcal/mol:

-334.55

Dipole, Da:

14.01

IP(EA), eV:

 -8.46(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)CCC(=O)NC)C(C)C

DOS

IR

Vibrations