Geometry & MOs

Info

ID:	197426
PubChem CID:	78965645
Reduced:	FON4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-5.72
Dipole, Da:	5.2
IP(EA), eV:	-9.02(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)NC2=C(C=C(C=C2)C#N)N)F

DOS

IR

Vibrations