Geometry & MOs

Info

ID:	336920
PubChem CID:	127255927
Reduced:	NaSN2O6H11C12 (1)
Stoich.:	ABC2D6E11F12 (1)
Weight, g/mol:	204.026582
ΔH_f, kcal/mol:	-209.04
Dipole, Da:	29.56
IP(EA), eV:	-8.62(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-3,5-difluorobenzonitrile;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations