Geometry & MOs

Info

ID:	320733
PubChem CID:	126663132
Reduced:	NO3C20H41 (1)
Stoich.:	AB3C20D41 (1)
Weight, g/mol:	516.221147
ΔH_f, kcal/mol:	-190.19
Dipole, Da:	2.39
IP(EA), eV:	-9.21(1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-cyclohexa-2,4-dien-1-ylpiperidin-3-yl]-N-methylidenepropanamide

Drug info:

PubChemData

Smile

CC1(CC(CC(N1O)(C)C)OCC(CC(C)(C)C)OC(C)(C)C)C

DOS

IR

Vibrations