Geometry & MOs

Info

ID:	146235
PubChem CID:	53656403
Reduced:	N4O5C28H30 (1)
Stoich.:	A4B5C28D30 (1)
Weight, g/mol:	238.084124
ΔH_f, kcal/mol:	-42.04
Dipole, Da:	4.74
IP(EA), eV:	-9.05(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-acetyl-3-hydroxy-2-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C1C(=O)OCCOC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=NN2C)C5CCCC5

DOS

IR

Vibrations