Geometry & MOs

Info

ID:	38923
PubChem CID:	8138166
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	332.148455
ΔH_f, kcal/mol:	-57.91
Dipole, Da:	2.62
IP(EA), eV:	-9.0(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations