Geometry & MOs

Info

ID:	163426
PubChem CID:	57939531
Reduced:	NO2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	575.221875
ΔH_f, kcal/mol:	-193.04
Dipole, Da:	3.93
IP(EA), eV:	-9.63(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4R)-1-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-methylcarbamoyl]-2-(2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate

Drug info:

PubChemData

Smile

COCCCNC(=O)C1CCN(CC1)C(=O)OC

DOS

IR

Vibrations