Geometry & MOs

Info

ID:	86514
PubChem CID:	49886469
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	250.084124
ΔH_f, kcal/mol:	14.2
Dipole, Da:	4.49
IP(EA), eV:	-8.43(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(4-ethoxy-2-methylphenyl)-4-hydroxy-2-oxobut-3-enoic acid

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C2=CC(=NN2)N

DOS

IR

Vibrations