Geometry & MOs

Info

ID:	41059
PubChem CID:	8145188
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	341.222903
ΔH_f, kcal/mol:	-56.09
Dipole, Da:	2.72
IP(EA), eV:	-8.73(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethylphenol

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations