Geometry & MOs

Info

ID:	173811
PubChem CID:	75686657
Reduced:	ClN2O4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	466.287866
ΔH_f, kcal/mol:	-117.09
Dipole, Da:	3.86
IP(EA), eV:	-9.66(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

5,6-dimethyl-N-[(1-methylimidazolidin-1-ium-2-yl)-phenylmethyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2C(N(C(=O)NC2=O)C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations