Geometry & MOs

Info

ID:	337761
PubChem CID:	127258384
Reduced:	O4C21H36 (1)
Stoich.:	A4B21C36 (1)
Weight, g/mol:	235.96842
ΔH_f, kcal/mol:	-219.4
Dipole, Da:	6.04
IP(EA), eV:	-9.5(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromoprop-1-en-2-yloxy)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCC/C=C(/CC(=O)O)\C(=O)O

DOS

IR

Vibrations