Geometry & MOs

Info

ID:	306858
PubChem CID:	125263955
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-130.45
Dipole, Da:	4.17
IP(EA), eV:	-8.96(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aS)-1-(3-phenylpropanoyl)-4-pyridin-3-yl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CN(CC1=CC=CO1)[C@H]2CN([C@H]3[C@H]2OCCC3)C(=O)COC

DOS

IR

Vibrations