Geometry & MOs

Info

ID:	178929
PubChem CID:	76402891
Reduced:	N2O2H7C10 (2)
Stoich.:	A2B2C7D10 (2)
Weight, g/mol:	335.141596
ΔH_f, kcal/mol:	18.74
Dipole, Da:	6.74
IP(EA), eV:	-9.16(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[2-(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=C2)CN3C=CC4=NC(=O)C(C=C4C3=O)C#N

DOS

IR

Vibrations