Geometry & MOs

Info

ID:	391173
PubChem CID:	135003350
Reduced:	NO7C21H25 (1)
Stoich.:	AB7C21D25 (1)
Weight, g/mol:	395.194402
ΔH_f, kcal/mol:	-244.96
Dipole, Da:	3.09
IP(EA), eV:	-9.16(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-ethyl 4-O,5-O-dimethyl 6-(2,4,4-trimethylpentan-2-ylimino)pyran-2,4,5-tricarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(C1)N(CC2=CC=CC=C2)C(=O)OC)OC)C(=O)OCC

DOS

IR

Vibrations