Geometry & MOs

Info

ID:	292908
PubChem CID:	117363495
Reduced:	NC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	244.050237
ΔH_f, kcal/mol:	8.27
Dipole, Da:	2.37
IP(EA), eV:	-8.65(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-chloro-3-hydroxy-2-methoxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

CN1CCC(C1)C2=CC=C(C=C2)C3CCCCN3

DOS

IR

Vibrations