Geometry & MOs

Info

ID:	134068
PubChem CID:	51636324
Reduced:	N3O4C22H39 (1)
Stoich.:	A3B4C22D39 (1)
Weight, g/mol:	359.254833
ΔH_f, kcal/mol:	-168.94
Dipole, Da:	0.87
IP(EA), eV:	-8.54(0.08)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

dimethyl-[3-[methyl-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-yl]amino]propyl]azanium

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)OC)C[NH2+]CC3CCOCC3)O

DOS

IR

Vibrations