Geometry & MOs

Info

ID:	217759
PubChem CID:	85088337
Reduced:	N4O5C20H20 (1)
Stoich.:	A4B5C20D20 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-88.27
Dipole, Da:	5.79
IP(EA), eV:	-9.51(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,2-dimethyl-4-[2-(3-phenyldiazenylphenyl)ethyl]-1,3-dioxane-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(=O)C(=NNC1=CC=C(C=C1)C(=O)O)N=NC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations