Geometry & MOs

Info

ID:	257780
PubChem CID:	103148549
Reduced:	NO2F3C11H22 (1)
Stoich.:	AB2C3D11E22 (1)
Weight, g/mol:	294.166746
ΔH_f, kcal/mol:	-279.11
Dipole, Da:	4.69
IP(EA), eV:	-8.99(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

CCNC(CCOCC(F)(F)F)COC(C)C

DOS

IR

Vibrations