Geometry & MOs

Info

ID:	172009
PubChem CID:	75453576
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	296.102174
ΔH_f, kcal/mol:	-86.91
Dipole, Da:	3.61
IP(EA), eV:	-9.63(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)N1)NC(=O)C2C3=CC=CC=C3CCO2

DOS

IR

Vibrations