Geometry & MOs

Info

ID:	132253
PubChem CID:	51329513
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	336.113487
ΔH_f, kcal/mol:	-92.78
Dipole, Da:	6.86
IP(EA), eV:	-8.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-(1H-indazol-5-yl)-5-methyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=C(N2CCOC)C)C

DOS

IR

Vibrations