Geometry & MOs

Info

ID:	336310
PubChem CID:	127255317
Reduced:	O3N4C10H10 (1)
Stoich.:	A3B4C10D10 (1)
Weight, g/mol:	311.101839
ΔH_f, kcal/mol:	-44.5
Dipole, Da:	7.07
IP(EA), eV:	-8.87(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NC2=NC=CN2

DOS

IR

Vibrations