Geometry & MOs

Info

ID:	341119
PubChem CID:	127263554
Reduced:	ClN4C7H9 (1)
Stoich.:	AB4C7D9 (1)
Weight, g/mol:	212.084704
ΔH_f, kcal/mol:	38.73
Dipole, Da:	5.8
IP(EA), eV:	-8.63(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;dihydrochloride

Drug info:

PubChemData

Smile

CN1C=C2C=C(C=NC2=N1)N.Cl

DOS

IR

Vibrations