Geometry & MOs

Info

ID:	220536
PubChem CID:	85197680
Reduced:	ClO2N4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	325.071289
ΔH_f, kcal/mol:	-76.87
Dipole, Da:	1.96
IP(EA), eV:	-9.11(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,5,5,5-pentafluoro-1-piperidin-1-yl-3-(trifluoromethyl)pent-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CCC1CN(C2)C3=NC=CC(=N3)Cl

DOS

IR

Vibrations