Geometry & MOs

Info

ID:	294257
PubChem CID:	117443754
Reduced:	NO2F4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	277.092578
ΔH_f, kcal/mol:	-224.0
Dipole, Da:	2.21
IP(EA), eV:	-9.79(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-[2-methoxy-6-(trifluoromethyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C(C(=C1F)F)CC2(CC2)N)F)F

DOS

IR

Vibrations