Geometry & MOs

Info

ID:	197913
PubChem CID:	79015619
Reduced:	NC18H23 (1)
Stoich.:	AB18C23 (1)
Weight, g/mol:	258.105608
ΔH_f, kcal/mol:	19.47
Dipole, Da:	2.64
IP(EA), eV:	-9.11(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-2-(2-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CCCC2=CC=CC=C2)CN

DOS

IR

Vibrations