Geometry & MOs

Info

ID:	404858
PubChem CID:	135071527
Reduced:	NO7C18H25 (1)
Stoich.:	AB7C18D25 (1)
Weight, g/mol:	352.127051
ΔH_f, kcal/mol:	-288.64
Dipole, Da:	6.08
IP(EA), eV:	-8.87(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[2-(N-methyl-3-nitroanilino)-2-oxoethyl]propanedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations