Geometry & MOs

Info

ID:	345650
PubChem CID:	127269950
Reduced:	OSN5C16H27 (1)
Stoich.:	ABC5D16E27 (1)
Weight, g/mol:	292.147016
ΔH_f, kcal/mol:	-5.79
Dipole, Da:	5.05
IP(EA), eV:	-8.62(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-4-methyl-5-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)NC2CCN(CC2)C3CC3

DOS

IR

Vibrations