Geometry & MOs

Info

ID:	62850
PubChem CID:	26737256
Reduced:	BrClN2O2F3H11C17 (1)
Stoich.:	ABC2D2E3F11G17 (1)
Weight, g/mol:	401.207647
ΔH_f, kcal/mol:	-166.38
Dipole, Da:	3.67
IP(EA), eV:	-9.61(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(NZ)-N-[(2S,3R,6R)-2,6-bis(3,4-dimethoxyphenyl)-3-methylpiperidin-1-ium-4-ylidene]hydroxylamine

Drug info:

PubChemData

Smile

C1C(=NN([C@@]1(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Br

DOS

IR

Vibrations