Geometry & MOs

Info

ID:	227231
PubChem CID:	87560731
Reduced:	N2O2C27H32 (1)
Stoich.:	A2B2C27D32 (1)
Weight, g/mol:	214.047738
ΔH_f, kcal/mol:	-27.08
Dipole, Da:	1.97
IP(EA), eV:	-8.47(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-hexa-1,5-diene-1,2,6-tricarboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2=C(C=CN=C21)CCC3(CCC(CC3)NC/C=C/C4=CC=CC=C4)O

DOS

IR

Vibrations