Geometry & MOs

Info

ID:	319421
PubChem CID:	126655963
Reduced:	NO2C7H7 (3)
Stoich.:	AB2C7D7 (3)
Weight, g/mol:	317.056719
ΔH_f, kcal/mol:	-127.42
Dipole, Da:	6.41
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorobenzotriazol-2-yl)-5-(oxiran-2-ylmethoxy)phenol

Drug info:

PubChemData

Smile

C1C(O1)COC(=O)CCC(=O)OCCC2=CC(=C(C=C2)N3N=C4C=CC=CC4=N3)O

DOS

IR

Vibrations