Geometry & MOs

Info

ID:	362093
PubChem CID:	127305775
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-74.22
Dipole, Da:	8.28
IP(EA), eV:	-9.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations