Geometry & MOs

Info

ID:	320755
PubChem CID:	126663206
Reduced:	N2O6C17H34 (1)
Stoich.:	A2B6C17D34 (1)
Weight, g/mol:	548.210976
ΔH_f, kcal/mol:	-306.93
Dipole, Da:	5.92
IP(EA), eV:	-9.52(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-butoxy-5-nitro-2-phenylpiperidine

Drug info:

PubChemData

Smile

CC(C)C(CO)OC(COC(=O)CCCC(=O)NCCN)OC(C)C

DOS

IR

Vibrations