Geometry & MOs

Info

ID:	41123
PubChem CID:	8145294
Reduced:	NO2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	370.213067
ΔH_f, kcal/mol:	-82.2
Dipole, Da:	1.04
IP(EA), eV:	-8.93(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3aS,7aS)-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations