Geometry & MOs

Info

ID:	56821
PubChem CID:	22394188
Reduced:	OSF3N4H11C16 (1)
Stoich.:	ABC3D4E11F16 (1)
Weight, g/mol:	191.026855
ΔH_f, kcal/mol:	-81.98
Dipole, Da:	2.26
IP(EA), eV:	-8.87(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-4-methylaniline;hydrochloride

Drug info:

PubChemData

Smile

C1=CC2=NC=C(N2C=C1)CS(=O)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F

DOS

IR

Vibrations