Geometry & MOs

Info

ID:	264877
PubChem CID:	103500071
Reduced:	FN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-143.14
Dipole, Da:	8.85
IP(EA), eV:	-8.91(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC(C1CN(C1)C(=O)N2CCC3=C2C=C(C=C3)F)C(=O)O

DOS

IR

Vibrations