Geometry & MOs

Info

ID:	257747
PubChem CID:	103148450
Reduced:	ON2F3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	266.135446
ΔH_f, kcal/mol:	-160.42
Dipole, Da:	4.55
IP(EA), eV:	-9.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(CCOCC(F)(F)F)C1=CN=CC2=CC=CC=C21

DOS

IR

Vibrations