Geometry & MOs

Info

ID:	271488
PubChem CID:	103680808
Reduced:	ClFON2H10C14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	248.073182
ΔH_f, kcal/mol:	-19.3
Dipole, Da:	8.31
IP(EA), eV:	-8.95(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNC2=CC(=C(C=C2)C#N)Cl)F)O

DOS

IR

Vibrations