Geometry & MOs

Info

ID:	435558
PubChem CID:	135191803
Reduced:	FO4H19C25 (1)
Stoich.:	AB4C19D25 (1)
Weight, g/mol:	194.074308
ΔH_f, kcal/mol:	-108.55
Dipole, Da:	2.42
IP(EA), eV:	-8.94(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-4-methylphenyl) 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(=O)C=C)C2=CC=C(C=C2)C3=C(C=C(C=C3)OC(=O)C=C)F

DOS

IR

Vibrations