Geometry & MOs

Info

ID:	167138
PubChem CID:	74785688
Reduced:	F2N2O2C26H33 (1)
Stoich.:	A2B2C2D26E33 (1)
Weight, g/mol:	324.23274
ΔH_f, kcal/mol:	-131.56
Dipole, Da:	13.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.947736
Charge, e:	1

Chem-info

IUPAC name:

[1,3-bis(2-phenylethyl)piperidin-1-ium-3-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3CCCO3)C(=O)C4=C(C=CC(=C4)F)F

DOS

IR

Vibrations