Geometry & MOs

Info

ID:	370678
PubChem CID:	127339852
Reduced:	OSN7C15H17 (1)
Stoich.:	ABC7D15E17 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	85.06
Dipole, Da:	3.32
IP(EA), eV:	-9.65(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-[3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)C(=O)C3=CSC(=N3)C4=NC=NN4

DOS

IR

Vibrations