Geometry & MOs

Info

ID:	423156
PubChem CID:	135119028
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	339.151767
ΔH_f, kcal/mol:	24.49
Dipole, Da:	3.98
IP(EA), eV:	-8.41(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)N2C[C@H]([C@@H](C2)O)CC3=NNC(=C3)C)C#N

DOS

IR

Vibrations