Geometry & MOs

Info

ID:	136971
PubChem CID:	52132740
Reduced:	SN5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	305.167417
ΔH_f, kcal/mol:	82.74
Dipole, Da:	4.73
IP(EA), eV:	-8.68(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSC2=NN=C(N2C(C)C)C3=CC(=NN3C)C

DOS

IR

Vibrations