Geometry & MOs

Info

ID:	298671
PubChem CID:	117653802
Reduced:	FNO4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	420.20893
ΔH_f, kcal/mol:	-187.85
Dipole, Da:	8.66
IP(EA), eV:	-9.27(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenylphenyl)propan-1-one;1-(4-phenylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1C)C)C(=O)O)C2=CC=C(C=C2)F)C(=O)O

DOS

IR

Vibrations