Geometry & MOs

Info

ID:	338388
PubChem CID:	127259080
Reduced:	NSO5H11C13 (1)
Stoich.:	ABC5D11E13 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-77.56
Dipole, Da:	6.5
IP(EA), eV:	-8.96(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methoxyanilino)-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])SCC2=CC=CO2

DOS

IR

Vibrations