Geometry & MOs

Info

ID:	415333
PubChem CID:	135088327
Reduced:	S2O3N4C22H28 (1)
Stoich.:	A2B3C4D22E28 (1)
Weight, g/mol:	354.151433
ΔH_f, kcal/mol:	-55.35
Dipole, Da:	4.48
IP(EA), eV:	-9.07(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-methylthieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@](C[C@@H]1N2CC(=O)N3CCOCC3)(CC4=CSC=N4)C(=O)NCC5=CSC=C5

DOS

IR

Vibrations