Geometry & MOs

Info

ID:	193692
PubChem CID:	78424678
Reduced:	FNSO3H13C17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	345.254203
ΔH_f, kcal/mol:	-107.51
Dipole, Da:	2.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756309
Charge, e:	1

Chem-info

IUPAC name:

[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(3-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1C(N(C(S1)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3)C(=O)[O-]

DOS

IR

Vibrations