Geometry & MOs

Info

ID:	272825
PubChem CID:	103760117
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	232.064806
ΔH_f, kcal/mol:	-11.51
Dipole, Da:	4.65
IP(EA), eV:	-9.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)OCC(C)C

DOS

IR

Vibrations