Geometry & MOs

Info

ID:	294557
PubChem CID:	117470334
Reduced:	NO6H13C14 (1)
Stoich.:	AB6C13D14 (1)
Weight, g/mol:	291.108228
ΔH_f, kcal/mol:	-142.59
Dipole, Da:	6.32
IP(EA), eV:	-8.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]butanoic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)OCCCO2)C3=NOC(=C3)C(=O)O

DOS

IR

Vibrations