Geometry & MOs

Info

ID:	1302
PubChem CID:	4127
Reduced:	FO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	258.105608
ΔH_f, kcal/mol:	-97.28
Dipole, Da:	0.95
IP(EA), eV:	-9.31(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-fluoro-4-phenylphenyl)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations