Geometry & MOs

Info

ID:	136993
PubChem CID:	52135276
Reduced:	SN5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	305.167417
ΔH_f, kcal/mol:	85.09
Dipole, Da:	2.29
IP(EA), eV:	-8.62(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentylsulfanyl-5-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSC2=NN=C(N2C)CCC3=C(N(N=C3)C)C

DOS

IR

Vibrations