Geometry & MOs

Info

ID:	167057
PubChem CID:	74774743
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	403.274739
ΔH_f, kcal/mol:	-37.11
Dipole, Da:	6.87
IP(EA), eV:	-6.53(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-ium-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=CC=CC(=C2)C[NH+]3CCC(C(C3)O)[NH+]4CCOCC4

DOS

IR

Vibrations