Geometry & MOs

Info

ID:	295008
PubChem CID:	117511453
Reduced:	N2O5C17H18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-149.93
Dipole, Da:	4.92
IP(EA), eV:	-8.2(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methyl-2,5-dioxopiperazin-1-yl)phenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2=C(C3=C(CC(O3)C)C(=C2O1)OC)C4=NNC(=C4)C(=O)O

DOS

IR

Vibrations