Geometry & MOs

Info

ID:	3015
PubChem CID:	9048
Reduced:	Cl2N5C11H15 (1)
Stoich.:	A2B5C11D15 (1)
Weight, g/mol:	287.070451
ΔH_f, kcal/mol:	1.59
Dipole, Da:	6.59
IP(EA), eV:	-9.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride

Drug info:

PubChemData

Smile

CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.Cl

DOS

IR

Vibrations