Geometry & MOs

Info

ID:	41860
PubChem CID:	8147360
Reduced:	NO4C20H33 (1)
Stoich.:	AB4C20D33 (1)
Weight, g/mol:	324.204907
ΔH_f, kcal/mol:	-178.12
Dipole, Da:	0.75
IP(EA), eV:	-8.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[4-[(2R)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]-3-methoxyphenyl]ethanone

Drug info:

PubChemData

Smile

CCCC[C@H](CC)CNC[C@H](COC1=C(C=C(C=C1)C(=O)C)OC)O

DOS

IR

Vibrations