Geometry & MOs

Info

ID:	445021
PubChem CID:	135264277
Reduced:	NO3H13C18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	362.084911
ΔH_f, kcal/mol:	-38.77
Dipole, Da:	6.62
IP(EA), eV:	-9.3(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-oxooctane-1,1,3,8,8-pentacarboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(NC3=CC=CC=C32)OO1)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations