Geometry & MOs

Info

ID:	173813
PubChem CID:	75686659
Reduced:	SN6C26H36 (1)
Stoich.:	AB6C26D36 (1)
Weight, g/mol:	465.280041
ΔH_f, kcal/mol:	51.75
Dipole, Da:	3.89
IP(EA), eV:	-8.27(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)NC(C4NCCN4C)C5=CC=CC=C5

DOS

IR

Vibrations