Geometry & MOs

Info

ID:	228777
PubChem CID:	87565750
Reduced:	H5C6 (2)
Stoich.:	A5B6 (2)
Weight, g/mol:	310.126382
ΔH_f, kcal/mol:	126.82
Dipole, Da:	1.37
IP(EA), eV:	-8.62(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propane-1,2-diol;1-propoxypropane-1,2,3-tricarboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C3=CC3=C2)C

DOS

IR

Vibrations