Geometry & MOs

Info

ID:	194560
PubChem CID:	78556438
Reduced:	O5H18C22 (1)
Stoich.:	A5B18C22 (1)
Weight, g/mol:	386.111401
ΔH_f, kcal/mol:	-109.29
Dipole, Da:	3.5
IP(EA), eV:	-8.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2O1)C(=O)OCC3=CC=CC=C3OC4=CC=CC=C4

DOS

IR

Vibrations