Geometry & MOs

Info

ID:	83739
PubChem CID:	49860796
Reduced:	ClN3C19H24 (1)
Stoich.:	AB3C19D24 (1)
Weight, g/mol:	361.113937
ΔH_f, kcal/mol:	33.36
Dipole, Da:	4.85
IP(EA), eV:	-8.88(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-fluorophenyl)sulfanylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCN1C[C@H]2C[C@@H]2C3=CC=CC=C3)C4=CC=CC=N4.Cl

DOS

IR

Vibrations