Geometry & MOs

Info

ID:	260527
PubChem CID:	103194475
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	9.74
Dipole, Da:	3.02
IP(EA), eV:	-8.27(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-5-methylpyridin-2-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)C3=C4C=CC=C(C4=NC=C3)N

DOS

IR

Vibrations