Geometry & MOs

Info

ID:	73424
PubChem CID:	48417665
Reduced:	ON2F3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	415.208276
ΔH_f, kcal/mol:	-191.11
Dipole, Da:	6.83
IP(EA), eV:	-9.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]-3-oxopropyl]carbamate

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C(F)(F)F)C2CCN(CC2)C(=O)C3CC4CCC3C4

DOS

IR

Vibrations