Geometry & MOs

Info

ID:	140039
PubChem CID:	52635186
Reduced:	OSN4C18H30 (1)
Stoich.:	ABC4D18E30 (1)
Weight, g/mol:	350.214033
ΔH_f, kcal/mol:	-3.79
Dipole, Da:	3.84
IP(EA), eV:	-8.68(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-3-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1OCCSC2=NN=C(N2C3CC3)N4CCCC4

DOS

IR

Vibrations