Geometry & MOs

Info

ID:	39662
PubChem CID:	8141782
Reduced:	NOC8H13 (3)
Stoich.:	ABC8D13 (3)
Weight, g/mol:	407.265831
ΔH_f, kcal/mol:	-158.58
Dipole, Da:	5.1
IP(EA), eV:	-8.75(0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyl]piperazin-1-ium-1-yl]-N-tert-butylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)CC(=O)NC(C)(C)C

DOS

IR

Vibrations