Geometry & MOs

Info

ID:	307017
PubChem CID:	125264663
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	-57.82
Dipole, Da:	5.17
IP(EA), eV:	-9.73(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3aS,6aS)-5-oxo-4-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H](CCN2C(=O)C3=CC=C(C=C3)C#N)O[C@@H]1COCC4CC4

DOS

IR

Vibrations