Geometry & MOs

Info

ID:	260694
PubChem CID:	103200240
Reduced:	BrO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	154.062994
ΔH_f, kcal/mol:	-121.93
Dipole, Da:	7.96
IP(EA), eV:	-9.35(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-cyclobutyl-2-oxobut-3-enoic acid

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)Br)/C=C/C(=O)C(=O)O

DOS

IR

Vibrations