Geometry & MOs

Info

ID:	41047
PubChem CID:	8145169
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	370.158923
ΔH_f, kcal/mol:	-105.01
Dipole, Da:	1.51
IP(EA), eV:	-8.0(0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione

Drug info:

PubChemData

Smile

CCC[C@H]1C(=O)N(C(=O)N1)CN2CCN(CC2)C3=CC=CC=C3OCC

DOS

IR

Vibrations