Geometry & MOs

Info

ID:	247180
PubChem CID:	103068524
Reduced:	OSN4C12H20 (1)
Stoich.:	ABC4D12E20 (1)
Weight, g/mol:	270.151433
ΔH_f, kcal/mol:	14.39
Dipole, Da:	5.15
IP(EA), eV:	-8.82(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-3-[2-(propylaminomethyl)prop-2-enylsulfanyl]-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CSC1=NNC(=O)N1C2CC2

DOS

IR

Vibrations