Geometry & MOs

Info

ID:	53091
PubChem CID:	14709547
Reduced:	OH6C8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	216.099774
ΔH_f, kcal/mol:	-10.59
Dipole, Da:	4.35
IP(EA), eV:	-9.4(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethoxy-1-oxopropan-2-yl) 3-hydroxy-2-methylidenebutanoate

Drug info:

PubChemData

Smile

C=C1C(C2=CC=CC=C2OC1=O)C3=CC=CC=C3

DOS

IR

Vibrations