Geometry & MOs

Info

ID:	230255
PubChem CID:	87570530
Reduced:	Cl2N2O5H10C18 (1)
Stoich.:	A2B2C5D10E18 (1)
Weight, g/mol:	377.220223
ΔH_f, kcal/mol:	-119.88
Dipole, Da:	6.18
IP(EA), eV:	-10.12(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[4-[(E)-1-phenylpentylideneamino]oxybutyl]-1,3-dioxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OC2=C(C=CC(=N2)C3=CC(=C(N=C3)Cl)C(=O)O)C(=O)O)Cl

DOS

IR

Vibrations