Geometry & MOs

Info

ID:	388152
PubChem CID:	134988331
Reduced:	BrO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	216.152558
ΔH_f, kcal/mol:	-80.55
Dipole, Da:	1.57
IP(EA), eV:	-9.44(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octyl (Z)-4-fluorobut-3-enoate

Drug info:

PubChemData

Smile

CCOC(=O)CC/C(=C/CC1=CC=CC=C1Br)/C

DOS

IR

Vibrations