Geometry & MOs

Info

ID:	35866
PubChem CID:	7980420
Reduced:	ClN2O6H13C16 (1)
Stoich.:	AB2C6D13E16 (1)
Weight, g/mol:	330.085186
ΔH_f, kcal/mol:	-123.28
Dipole, Da:	1.38
IP(EA), eV:	-9.23(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-nitroanilino)-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations