Geometry & MOs

Info

ID:	262814
PubChem CID:	103319671
Reduced:	BrON5C8H12 (1)
Stoich.:	ABC5D8E12 (1)
Weight, g/mol:	343.934467
ΔH_f, kcal/mol:	16.57
Dipole, Da:	2.98
IP(EA), eV:	-8.85(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(2,4-dichlorophenoxy)-6-methylthieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

C1CN=C2C(=C(NN2C1CN)C(=O)N)Br

DOS

IR

Vibrations