Geometry & MOs

Info

ID:	289552
PubChem CID:	104359482
Reduced:	BrClSN4H6C9 (1)
Stoich.:	ABCD4E6F9 (1)
Weight, g/mol:	299.94135
ΔH_f, kcal/mol:	88.25
Dipole, Da:	8.51
IP(EA), eV:	-8.45(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(3-bromo-2-chlorophenyl)-1H-1,3,5-triazin-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)Cl)C2=NC(=S)N=C(N2)N

DOS

IR

Vibrations