Geometry & MOs

Info

ID:	167293
PubChem CID:	74804587
Reduced:	FO3N5C22H30 (1)
Stoich.:	AB3C5D22E30 (1)
Weight, g/mol:	360.245116
ΔH_f, kcal/mol:	-151.64
Dipole, Da:	4.84
IP(EA), eV:	-8.4(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[(2-fluorophenyl)methyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol

Drug info:

PubChemData

Smile

CN1C(CC(=O)N(C1=O)C)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations