Geometry & MOs

Info

ID:	346848
PubChem CID:	127271352
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	374.195405
ΔH_f, kcal/mol:	-9.91
Dipole, Da:	7.93
IP(EA), eV:	-9.27(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations