Geometry & MOs

Info

ID:	406743
PubChem CID:	135078515
Reduced:	N7O7H13C14 (1)
Stoich.:	A7B7C13D14 (1)
Weight, g/mol:	238.156895
ΔH_f, kcal/mol:	63.01
Dipole, Da:	9.75
IP(EA), eV:	-9.87(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutyl)-2-(3-oxobutyl)cyclopentane-1,3-dione

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=NC(=N2)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OC3=CC=CC=C3

DOS

IR

Vibrations