Geometry & MOs

Info

ID:	167823
PubChem CID:	74883666
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-16.7
Dipole, Da:	5.06
IP(EA), eV:	-9.2(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(6-methylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(C2C1CNC2)C(=O)CC3=CC=NC=C3

DOS

IR

Vibrations