Geometry & MOs

Info

ID:	369796
PubChem CID:	127335747
Reduced:	ON5C20H33 (1)
Stoich.:	AB5C20D33 (1)
Weight, g/mol:	346.182733
ΔH_f, kcal/mol:	-37.91
Dipole, Da:	4.08
IP(EA), eV:	-8.79(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=NC=NC(=C2)NC3CCN(CC3)CC4CCOC4

DOS

IR

Vibrations