Geometry & MOs

Info

ID:	393493
PubChem CID:	135020758
Reduced:	O3C7H8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	321.278013
ΔH_f, kcal/mol:	-189.14
Dipole, Da:	2.14
IP(EA), eV:	-9.89(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-[(2R)-oxiran-2-yl]ethyl]-4-tridecyltriazole

Drug info:

PubChemData

Smile

CO[C@H](C=O)O[C@@H]1CO[C@H](O[C@H]1C=O)C2=CC=CC=C2

DOS

IR

Vibrations