Geometry & MOs

Info

ID:	203175
PubChem CID:	79790201
Reduced:	NF2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	324.99253
ΔH_f, kcal/mol:	-141.82
Dipole, Da:	5.89
IP(EA), eV:	-9.56(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromophenyl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)COC2=CN=C(C=C2)C=CC(=O)O

DOS

IR

Vibrations