Geometry & MOs

Info

ID:	160132
PubChem CID:	57304833
Reduced:	FNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	273.126598
ΔH_f, kcal/mol:	-141.47
Dipole, Da:	5.71
IP(EA), eV:	-9.22(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-diphenyl-2,4-dihydrobenzotriazole

Drug info:

PubChemData

Smile

CCOC(C(=O)C1=CC(=CC2=C1OCC2)F)N

DOS

IR

Vibrations