Geometry & MOs

Info

ID:	232782
PubChem CID:	87576982
Reduced:	AsClNOH15C20 (1)
Stoich.:	ABCDE15F20 (1)
Weight, g/mol:	418.188606
ΔH_f, kcal/mol:	110.19
Dipole, Da:	1.39
IP(EA), eV:	-8.05(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethoxy-1,3,5-triazinan-1-yl)-4-methylmorpholin-4-ium;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(OC3=C2C=C(C=C3)[As])C4=CC=C(C=C4)Cl

DOS

IR

Vibrations