Geometry & MOs

Info

ID:	137013
PubChem CID:	52137924
Reduced:	SN4C10H20 (1)
Stoich.:	AB4C10D20 (1)
Weight, g/mol:	271.090997
ΔH_f, kcal/mol:	26.48
Dipole, Da:	6.07
IP(EA), eV:	-8.57(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3-chloroprop-2-enyl]sulfanyl-5-cyclobutyl-4-propan-2-yl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=NN=C(N1C(C)C)SCCN(C)C

DOS

IR

Vibrations