Geometry & MOs

Info

ID:	161448
PubChem CID:	57391702
Reduced:	N2O4F5H23C27 (1)
Stoich.:	A2B4C5D23E27 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-290.23
Dipole, Da:	5.63
IP(EA), eV:	-9.2(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R)-1-(2-cyanoethyl)-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC(=C2)CN)C(=O)C3=CC=C(O3)C#CC4=C(C=C(C=C4)F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations