Geometry & MOs

Info

ID:	388612
PubChem CID:	134989657
Reduced:	OC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	284.028065
ΔH_f, kcal/mol:	-129.67
Dipole, Da:	4.22
IP(EA), eV:	-9.43(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(5-hydroxy-2,4-dinitrophenyl)-3-oxopropanoate

Drug info:

PubChemData

Smile

C/C=C/C(=O)OC(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations