Geometry & MOs

Info

ID:	262970
PubChem CID:	103331578
Reduced:	SO2N3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	305.038961
ΔH_f, kcal/mol:	-54.23
Dipole, Da:	1.39
IP(EA), eV:	-8.4(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)NCC)OCCO

DOS

IR

Vibrations