Geometry & MOs

Info

ID:	295009
PubChem CID:	117511479
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-155.99
Dipole, Da:	3.36
IP(EA), eV:	-9.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methyl-3,5-dioxopiperazin-1-yl)phenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1CC(=O)N(CC1=O)C2=CC=CC(=C2)C3(CCCCC3)C(=O)O

DOS

IR

Vibrations