Geometry & MOs

Info

ID:	167344
PubChem CID:	74812245
Reduced:	F2N2O3C24H26 (1)
Stoich.:	A2B2C3D24E26 (1)
Weight, g/mol:	380.270188
ΔH_f, kcal/mol:	-186.48
Dipole, Da:	6.89
IP(EA), eV:	-8.95(0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[(2-methylphenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-1-ium-3-yl]methanol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN2CC3CC(N4C3(C2=O)CCC4)C5=CC=C(C=C5)OC(F)F

DOS

IR

Vibrations