Geometry & MOs

Info

ID:	261052
PubChem CID:	103215636
Reduced:	OF3N4C12H21 (1)
Stoich.:	AB3C4D12E21 (1)
Weight, g/mol:	280.151096
ΔH_f, kcal/mol:	-183.31
Dipole, Da:	2.51
IP(EA), eV:	-9.34(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

Drug info:

PubChemData

Smile

CCNC(CC1=NC=NN1C(C)C)COCC(F)(F)F

DOS

IR

Vibrations