Geometry & MOs

Info

ID:	259318
PubChem CID:	103163904
Reduced:	NOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	249.09652
ΔH_f, kcal/mol:	-25.4
Dipole, Da:	2.05
IP(EA), eV:	-10.49(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclobutyl-2-(3,5-difluorophenyl)-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CCC(C#N)C(=O)CC1CCC1

DOS

IR

Vibrations