Geometry & MOs

Info

ID:	257806
PubChem CID:	103148647
Reduced:	NOF3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	280.151096
ΔH_f, kcal/mol:	-213.31
Dipole, Da:	4.69
IP(EA), eV:	-8.84(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(CCOCC(F)(F)F)C1=C(C=C(C(=C1)C)C)C

DOS

IR

Vibrations