Geometry & MOs

Info

ID:	259346
PubChem CID:	103164406
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	165.126598
ΔH_f, kcal/mol:	-115.35
Dipole, Da:	6.64
IP(EA), eV:	-9.47(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)CC2CCC2)C)S(=O)(=O)N

DOS

IR

Vibrations