Geometry & MOs

Info

ID:	363568
PubChem CID:	127311647
Reduced:	O4N5C17H19 (1)
Stoich.:	A4B5C17D19 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-111.53
Dipole, Da:	4.44
IP(EA), eV:	-8.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)CN4CC(=O)NC4=O

DOS

IR

Vibrations