Geometry & MOs

Info

ID:	371506
PubChem CID:	127346730
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	-16.74
Dipole, Da:	7.87
IP(EA), eV:	-9.01(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCN(C2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations