Geometry & MOs

Info

ID:	174596
PubChem CID:	75791514
Reduced:	OSN7C18H29 (1)
Stoich.:	ABC7D18E29 (1)
Weight, g/mol:	325.112795
ΔH_f, kcal/mol:	16.23
Dipole, Da:	5.37
IP(EA), eV:	-8.97(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloroprop-2-enylsulfanyl)-4-propyl-5-(2-propylpyrazol-3-yl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)C2=NN=C(N2CC)SCC3CC(=O)NC(N3)C(C)C

DOS

IR

Vibrations