Geometry & MOs

Info

ID:	293766
PubChem CID:	117400792
Reduced:	BrO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	258.00556
ΔH_f, kcal/mol:	-120.79
Dipole, Da:	6.77
IP(EA), eV:	-9.39(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-ethyl-2-fluorophenyl)propanal

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(C)C(=O)O)Br)O

DOS

IR

Vibrations