Geometry & MOs

Info

ID:	262993
PubChem CID:	103333094
Reduced:	OSN5C14H23 (1)
Stoich.:	ABC5D14E23 (1)
Weight, g/mol:	352.96337
ΔH_f, kcal/mol:	7.06
Dipole, Da:	4.63
IP(EA), eV:	-8.32(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-5-fluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)NN)N(CC)C(C)COC

DOS

IR

Vibrations