Geometry & MOs

Info

ID:	165740
PubChem CID:	74589491
Reduced:	FO3N4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	283.274939
ΔH_f, kcal/mol:	-62.95
Dipole, Da:	9.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.102346
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(cyclohexylmethyl)-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol

Drug info:

PubChemData

Smile

C1CN(C(=O)CN1C(=O)C2=CN=C3C=CC=C[NH+]3C2=O)CC4=CC(=CC=C4)F

DOS

IR

Vibrations