Geometry & MOs

Info

ID:	200631
PubChem CID:	79418160
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	212.084872
ΔH_f, kcal/mol:	-123.47
Dipole, Da:	4.71
IP(EA), eV:	-9.44(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(C2CCOC2)C(=O)O

DOS

IR

Vibrations