Geometry & MOs

Info

ID:	346476
PubChem CID:	127270980
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	-71.31
Dipole, Da:	6.05
IP(EA), eV:	-8.95(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCCC4CN5CCCC5)C(=O)N2CC1

DOS

IR

Vibrations