Geometry & MOs

Info

ID:	136998
PubChem CID:	52135544
Reduced:	SN6C16H28 (1)
Stoich.:	AB6C16D28 (1)
Weight, g/mol:	369.198717
ΔH_f, kcal/mol:	58.99
Dipole, Da:	7.74
IP(EA), eV:	-8.62(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-[(2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1SCCN(C)C)CCC2=C(N(N=C2)C)C

DOS

IR

Vibrations