Geometry & MOs

Info

ID:	259319
PubChem CID:	103163909
Reduced:	NOF2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	193.146664
ΔH_f, kcal/mol:	-81.98
Dipole, Da:	1.39
IP(EA), eV:	-10.41(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclobutylacetyl)-4-methylpentanenitrile

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)C(C#N)C2=CC(=CC(=C2)F)F

DOS

IR

Vibrations