Geometry & MOs

Info

ID:	335450
PubChem CID:	127254312
Reduced:	ClN3O3C5H6 (1)
Stoich.:	AB3C3D5E6 (1)
Weight, g/mol:	251.090606
ΔH_f, kcal/mol:	-71.8
Dipole, Da:	3.38
IP(EA), eV:	-10.42(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;oxalic acid

Drug info:

PubChemData

Smile

COCN1C(=NC(=N1)Cl)C(=O)O

DOS

IR

Vibrations