Geometry & MOs

Info

ID:	136972
PubChem CID:	52132741
Reduced:	SN5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	277.136117
ΔH_f, kcal/mol:	54.19
Dipole, Da:	5.06
IP(EA), eV:	-8.84(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,5-dimethylpyrazol-3-yl)-4-propan-2-yl-5-prop-2-enylsulfanyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C2=NN=C(N2C(C)C)SC3CCCC3)C

DOS

IR

Vibrations