Geometry & MOs

Info

ID:	184216
PubChem CID:	77128252
Reduced:	NOF4C9H9 (1)
Stoich.:	ABC4D9E9 (1)
Weight, g/mol:	253.048126
ΔH_f, kcal/mol:	-226.12
Dipole, Da:	4.19
IP(EA), eV:	-9.48(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-amino-2,2,2-trifluoroethyl)-4-chloro-3,5-dimethylphenol

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C(C(F)(F)F)N

DOS

IR

Vibrations