Geometry & MOs

Info

ID:	267780
PubChem CID:	103589090
Reduced:	BrClON2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	334.9728
ΔH_f, kcal/mol:	16.72
Dipole, Da:	4.46
IP(EA), eV:	-9.12(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline

Drug info:

PubChemData

Smile

C1=CN=CC(=C1OC2=CC(=CC(=C2)N)Br)Cl

DOS

IR

Vibrations