Geometry & MOs

Info

ID:	84904
PubChem CID:	49870614
Reduced:	OF3N6H17C23 (1)
Stoich.:	AB3C6D17E23 (1)
Weight, g/mol:	424.125944
ΔH_f, kcal/mol:	-38.01
Dipole, Da:	7.41
IP(EA), eV:	-9.25(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyridin-3-yl-N-[3-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3=CC(=CC=C3)NC(=O)C4=NC=CC(=C4)C5=CC(=CN=C5)C(F)(F)F

DOS

IR

Vibrations