Geometry & MOs

Info

ID:	78503
PubChem CID:	49693401
Reduced:	FN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	263.090606
ΔH_f, kcal/mol:	-139.75
Dipole, Da:	8.22
IP(EA), eV:	-8.37(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(4-nitrobenzoyl)piperazin-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)NCC2CCN(CC2)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations