Geometry & MOs

Info

ID:	245395
PubChem CID:	99444266
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	363.215806
ΔH_f, kcal/mol:	-96.99
Dipole, Da:	3.88
IP(EA), eV:	-9.29(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aR)-2-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCN(CC1)C(=O)CC2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations