Geometry & MOs

Info

ID:	83741
PubChem CID:	49860798
Reduced:	ClO3N5C15H24 (1)
Stoich.:	AB3C5D15E24 (1)
Weight, g/mol:	381.117937
ΔH_f, kcal/mol:	-77.43
Dipole, Da:	2.18
IP(EA), eV:	-8.43(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(N=C(N=C(N1OCCCOC2=CC=C(C=C2)OC)N)N)C.Cl

DOS

IR

Vibrations