Geometry & MOs

Info

ID:	125064
PubChem CID:	50908501
Reduced:	ON2C26H30 (1)
Stoich.:	AB2C26D30 (1)
Weight, g/mol:	359.099395
ΔH_f, kcal/mol:	66.71
Dipole, Da:	4.74
IP(EA), eV:	-8.4(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

Drug info:

PubChemData

Smile

C[C@@]1(CC[C@H]2[C@@]3([C@@]1(C(=C)C(C4=C3C5=C(C2(C)C)C=CC=C5N4)(C)C)[N+]#[C-])O)C=C

DOS

IR

Vibrations