Geometry & MOs

Info

ID:	17155
PubChem CID:	486416
Reduced:	BrClON6H12C17 (1)
Stoich.:	ABCD6E12F17 (1)
Weight, g/mol:	429.99445
ΔH_f, kcal/mol:	86.95
Dipole, Da:	5.85
IP(EA), eV:	-9.31(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-amino-6-(4-bromo-2-chloro-6-methylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)Cl)Br

DOS

IR

Vibrations