Geometry & MOs

Info

ID:	262723
PubChem CID:	103311738
Reduced:	NF6C12H21 (1)
Stoich.:	AB6C12D21 (1)
Weight, g/mol:	318.127916
ΔH_f, kcal/mol:	-368.49
Dipole, Da:	2.92
IP(EA), eV:	-10.14(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine

Drug info:

PubChemData

Smile

CCCCC(CC)CC(C(C(F)(F)F)C(F)(F)F)N

DOS

IR

Vibrations