Geometry & MOs

Info

ID:	77525
PubChem CID:	49649929
Reduced:	ClO2F3N3H13C18 (1)
Stoich.:	AB2C3D3E13F18 (1)
Weight, g/mol:	356.153621
ΔH_f, kcal/mol:	-127.14
Dipole, Da:	4.58
IP(EA), eV:	-10.28(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-3-[1-(4-fluorobenzoyl)piperidin-3-yl]-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)C(C#N)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C(F)(F)F

DOS

IR

Vibrations