Geometry & MOs

Info

ID:	292821
PubChem CID:	117359443
Reduced:	NF2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	243.107085
ΔH_f, kcal/mol:	-132.01
Dipole, Da:	5.26
IP(EA), eV:	-8.83(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-[2-(1,1-difluoroethyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1OC)CC2(CC2)N)F)F

DOS

IR

Vibrations