Geometry & MOs

Info

ID:	392528
PubChem CID:	135017051
Reduced:	NO2H17C20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	553.06959
ΔH_f, kcal/mol:	56.79
Dipole, Da:	5.7
IP(EA), eV:	-8.82(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,6-triacetyloxy-5-(5-bromo-4-phenyltriazol-1-yl)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C(\CC2=CC=CC3=CC=CC=C32)/[N+](=O)[O-]

DOS

IR

Vibrations