Geometry & MOs

Info

ID:	130634
PubChem CID:	51091834
Reduced:	OF3N3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	314.09498
ΔH_f, kcal/mol:	-154.77
Dipole, Da:	5.29
IP(EA), eV:	-9.14(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=CC(=NN1)C2=CC=CC=C2)C(=O)CC(F)(F)F

DOS

IR

Vibrations