Geometry & MOs

Info

ID:	125590
PubChem CID:	50928900
Reduced:	ClN3O5H20C21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	339.149538
ΔH_f, kcal/mol:	-135.88
Dipole, Da:	4.92
IP(EA), eV:	-8.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-fluoroanilino)-N-(3-phenylpropyl)-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C=CN(C(=O)C2=O)CC(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations