Geometry & MOs

Info

ID:	424205
PubChem CID:	135121734
Reduced:	O2F3H9C10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	220.053404
ΔH_f, kcal/mol:	-217.28
Dipole, Da:	3.48
IP(EA), eV:	-10.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1,3-dihydroisoindol-1-amine;dihydrochloride

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=CC=C1F)(F)F

DOS

IR

Vibrations