Geometry & MOs

Info

ID:	77928
PubChem CID:	49674688
Reduced:	FON4H15C17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	314.097917
ΔH_f, kcal/mol:	14.02
Dipole, Da:	1.21
IP(EA), eV:	-9.29(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-N-[(2-fluorophenyl)methyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=CN(N=N2)C3=CC(=CC=C3)F

DOS

IR

Vibrations