Geometry & MOs

Info

ID:	174261
PubChem CID:	75746039
Reduced:	N3O4C25H45 (1)
Stoich.:	A3B4C25D45 (1)
Weight, g/mol:	374.22438
ΔH_f, kcal/mol:	-149.93
Dipole, Da:	13.22
IP(EA), eV:	-6.3(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C[NH2+]CCN2CCC(CC2)O)OCC(C[NH+]3CCCCCCC3)O

DOS

IR

Vibrations