Geometry & MOs

Info

ID:	375434
PubChem CID:	131529681
Reduced:	N2F3O3H7C8 (1)
Stoich.:	A2B3C3D7E8 (1)
Weight, g/mol:	259.018718
ΔH_f, kcal/mol:	-173.16
Dipole, Da:	5.39
IP(EA), eV:	-10.29(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(C(F)F)N)O)F)[N+](=O)[O-]

DOS

IR

Vibrations