Geometry & MOs

Info

ID:	195036
PubChem CID:	78625259
Reduced:	BrN2O5C14H15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-164.07
Dipole, Da:	3.18
IP(EA), eV:	-9.79(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] oxolane-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations