Geometry & MOs

Info

ID:	445280
PubChem CID:	135265787
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	360.084531
ΔH_f, kcal/mol:	-126.79
Dipole, Da:	2.9
IP(EA), eV:	-9.32(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(6-chloropyridin-3-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethyl-lambda4-sulfane

Drug info:

PubChemData

Smile

C1CC2(CCC(CC2)(C3=NC=C(C=C3)O)O)OC1

DOS

IR

Vibrations