Geometry & MOs

Info

ID:	167176
PubChem CID:	74791278
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	391.259683
ΔH_f, kcal/mol:	-68.64
Dipole, Da:	16.67
IP(EA), eV:	-8.54(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 5-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methylamino]-5-oxopentanoate

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CCOC2=CC=CC(=C2)C=CC(=O)[O-]

DOS

IR

Vibrations