Geometry & MOs

Info

ID:	167318
PubChem CID:	74809423
Reduced:	O3N4C25H45 (1)
Stoich.:	A3B4C25D45 (1)
Weight, g/mol:	302.203251
ΔH_f, kcal/mol:	-51.72
Dipole, Da:	3.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.142692
Charge, e:	1

Chem-info

IUPAC name:

3-[2-(3-fluorophenyl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium

Drug info:

PubChemData

Smile

C[NH+](C)CCN(CC1CCC[NH+](C1)CC2=CC=CC=C2OC)C(=O)CC[NH+]3CCOCC3

DOS

IR

Vibrations