Geometry & MOs

Info

ID:	125591
PubChem CID:	50929070
Reduced:	FON5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	325.133888
ΔH_f, kcal/mol:	15.2
Dipole, Da:	3.23
IP(EA), eV:	-8.63(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCNC(=O)C2=NNN=C2NC3=CC=CC=C3F

DOS

IR

Vibrations