Geometry & MOs

Info

ID:	436095
PubChem CID:	135193797
Reduced:	FO3H11C18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	362.205301
ΔH_f, kcal/mol:	-85.21
Dipole, Da:	2.57
IP(EA), eV:	-8.92(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-aminohexoxyamino)-4-(2-carboxyethyl)heptanedioic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(=O)C3=C(O2)C=CC4=C3C(=CC=C4)F

DOS

IR

Vibrations