Geometry & MOs

Info

ID:	259347
PubChem CID:	103164420
Reduced:	NC3H5 (3)
Stoich.:	AB3C5 (3)
Weight, g/mol:	213.126598
ΔH_f, kcal/mol:	28.58
Dipole, Da:	2.81
IP(EA), eV:	-9.76(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclobutylmethyl)-3-phenyl-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CCC1=NNC(=N1)CC2CCC2

DOS

IR

Vibrations