Geometry & MOs

Info

ID:	393494
PubChem CID:	135020761
Reduced:	ON3C19H35 (1)
Stoich.:	AB3C19D35 (1)
Weight, g/mol:	335.293663
ΔH_f, kcal/mol:	-25.54
Dipole, Da:	4.34
IP(EA), eV:	-9.83(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(oxiran-2-yl)propan-2-yl]-4-tridecyltriazole

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC1=CN(N=N1)[C@H](C)[C@@H]2CO2

DOS

IR

Vibrations