Geometry & MOs

Info

ID:	289551
PubChem CID:	104359480
Reduced:	ClBr2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	315.91851
ΔH_f, kcal/mol:	50.27
Dipole, Da:	6.63
IP(EA), eV:	-9.72(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(3-bromo-2-chlorophenyl)-1H-1,3,5-triazine-4-thione

Drug info:

PubChemData

Smile

CC(C)CN1C(=NN=C1C2=C(C(=CC=C2)Br)Cl)CBr

DOS

IR

Vibrations