Geometry & MOs

Info

ID:	216219
PubChem CID:	85085909
Reduced:	O2N5H9C11 (1)
Stoich.:	A2B5C9D11 (1)
Weight, g/mol:	243.110673
ΔH_f, kcal/mol:	133.04
Dipole, Da:	2.86
IP(EA), eV:	-9.44(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 6-O-methyl 2-acetamidohex-2-enedioate

Drug info:

PubChemData

Smile

CON=CC1=C(ON=C1C2=CC=CC=C2)N=[N+]=[N-]

DOS

IR

Vibrations