Geometry & MOs

Info

ID:	41055
PubChem CID:	8145184
Reduced:	N3O4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	363.207253
ΔH_f, kcal/mol:	-75.77
Dipole, Da:	1.94
IP(EA), eV:	-8.9(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-ol

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H]3COC4=CC=CC=C4O3

DOS

IR

Vibrations