Geometry & MOs

Info

ID:	204358
PubChem CID:	79953283
Reduced:	ON2F3C9H13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	285.095218
ΔH_f, kcal/mol:	-190.41
Dipole, Da:	2.86
IP(EA), eV:	-9.34(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CC(CCC(F)(F)F)O

DOS

IR

Vibrations