Geometry & MOs

Info

ID:	141505
PubChem CID:	52885445
Reduced:	ON6C14H16 (1)
Stoich.:	AB6C14D16 (1)
Weight, g/mol:	287.08051
ΔH_f, kcal/mol:	68.21
Dipole, Da:	4.36
IP(EA), eV:	-8.95(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-(4-fluorophenyl)-5-methyl-N-(2H-tetrazol-5-yl)triazole-4-carboximidate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)C=C(N2)C(=O)NC3=NNN=N3

DOS

IR

Vibrations