Geometry & MOs

Info

ID:	228307
PubChem CID:	87563883
Reduced:	Cl2N2O2C11H12 (1)
Stoich.:	A2B2C2D11E12 (1)
Weight, g/mol:	411.16215
ΔH_f, kcal/mol:	-18.59
Dipole, Da:	4.27
IP(EA), eV:	-9.08(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-tert-butyl-4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]morpholin-4-ium

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C(=O)C2=C(C(=CC=C2)O)N(Cl)Cl

DOS

IR

Vibrations