Geometry & MOs

Info

ID:	130627
PubChem CID:	51091810
Reduced:	FN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	338.149124
ΔH_f, kcal/mol:	-132.89
Dipole, Da:	5.91
IP(EA), eV:	-9.11(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)F)C(=O)NCC2=CC(=CC=C2)COC

DOS

IR

Vibrations