Geometry & MOs

Info

ID:	171400
PubChem CID:	75371953
Reduced:	F2O2N4H14C17 (1)
Stoich.:	A2B2C4D14E17 (1)
Weight, g/mol:	320.108482
ΔH_f, kcal/mol:	-93.12
Dipole, Da:	3.79
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(difluoromethoxy)phenyl]-3-(pyrimidin-2-ylamino)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)C1NC2=C(C=CC=N2)C#N)C3=CC=CC=C3OC(F)F

DOS

IR

Vibrations