Geometry & MOs

Info

ID:	243328
PubChem CID:	99218487
Reduced:	ClN2O2F3C16H16 (1)
Stoich.:	AB2C2D3E16F16 (1)
Weight, g/mol:	361.116874
ΔH_f, kcal/mol:	-214.54
Dipole, Da:	5.36
IP(EA), eV:	-9.05(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloropyridin-2-yl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1N(CC(F)(F)F)C(=O)[C@@H]2CC(=O)N(C2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations