Geometry & MOs

Info

ID:	352307
PubChem CID:	127283391
Reduced:	O3N6C16H20 (1)
Stoich.:	A3B6C16D20 (1)
Weight, g/mol:	349.200156
ΔH_f, kcal/mol:	-49.75
Dipole, Da:	4.82
IP(EA), eV:	-9.56(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)N3CCNC(=O)C3C(C)C

DOS

IR

Vibrations