Geometry & MOs

Info

ID:	143027
PubChem CID:	53135278
Reduced:	NOH4C5 (4)
Stoich.:	ABC4D5 (4)
Weight, g/mol:	355.13322
ΔH_f, kcal/mol:	19.75
Dipole, Da:	8.92
IP(EA), eV:	-8.8(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-4-[(4-methyl-2,3-dioxopiperazin-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)C3=NN(C=CC3=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations