Geometry & MOs

Info

ID:	436023
PubChem CID:	135193401
Reduced:	N2O5H16C28 (1)
Stoich.:	A2B5C16D28 (1)
Weight, g/mol:	431.177982
ΔH_f, kcal/mol:	-61.94
Dipole, Da:	4.51
IP(EA), eV:	-8.94(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC(=C4)N5C(=O)C6=CC=CC=C6C5=O

DOS

IR

Vibrations