Geometry & MOs

Info

ID:	15026
PubChem CID:	427454
Reduced:	ClN5H14C15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	299.093773
ΔH_f, kcal/mol:	85.85
Dipole, Da:	3.79
IP(EA), eV:	-9.06(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2N=C(N=C(N2C3=CC(=CC=C3)Cl)N)N

DOS

IR

Vibrations