Geometry & MOs

Info

ID:	175166
PubChem CID:	75863491
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	412.221187
ΔH_f, kcal/mol:	-52.29
Dipole, Da:	4.29
IP(EA), eV:	-8.72(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-cyclohexyl-1-[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)C2=CC=CC=N2)CC(=O)N3CCCC3C4=CC(=C(C=C4)C)C

DOS

IR

Vibrations