Geometry & MOs

Info

ID:	343488
PubChem CID:	127266661
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	329.073574
ΔH_f, kcal/mol:	-76.11
Dipole, Da:	6.6
IP(EA), eV:	-9.66(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]triazol-1-yl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(CC1=CN(N=N1)C(CC2=CC=CC=C2)C(=O)OC)O

DOS

IR

Vibrations