Geometry & MOs

Info

ID:	210664
PubChem CID:	80836762
Reduced:	BrClSN4H8C9 (1)
Stoich.:	ABCD4E8F9 (1)
Weight, g/mol:	328.01058
ΔH_f, kcal/mol:	69.55
Dipole, Da:	2.26
IP(EA), eV:	-8.81(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(5-bromothiophen-2-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Br)CNC2=NC(=NC=C2Cl)N

DOS

IR

Vibrations