Geometry & MOs

Info

ID:	173812
PubChem CID:	75686658
Reduced:	SN6C26H38 (1)
Stoich.:	AB6C26D38 (1)
Weight, g/mol:	464.272216
ΔH_f, kcal/mol:	54.6
Dipole, Da:	8.73
IP(EA), eV:	-7.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)NC(C4NCC[NH+]4C)C5=CC=CC=C5

DOS

IR

Vibrations