Geometry & MOs

Info

ID:	285286
PubChem CID:	104098936
Reduced:	FN3O3H8C12 (1)
Stoich.:	AB3C3D8E12 (1)
Weight, g/mol:	256.093581
ΔH_f, kcal/mol:	-91.49
Dipole, Da:	3.47
IP(EA), eV:	-10.04(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(triazol-1-yl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C(=O)NC2=C(C=NC=C2)F)C(=O)O

DOS

IR

Vibrations