Geometry & MOs

Info

ID:	78507
PubChem CID:	49693437
Reduced:	SN3O4C10H11 (1)
Stoich.:	AB3C4D10E11 (1)
Weight, g/mol:	253.06987
ΔH_f, kcal/mol:	-58.72
Dipole, Da:	5.67
IP(EA), eV:	-10.12(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(5-nitrofuran-2-carbonyl)piperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations