Geometry & MOs

Info

ID:

403151

PubChem CID:

135058989

Reduced:

NO2C8H9 (2)

Stoich.:

AB2C8D9 (2)

Weight, g/mol:

489.169999

ΔHf, kcal/mol:

-67.14

Dipole, Da:

8.59

IP(EA), eV:

 -9.01(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[(3aR,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-5-naphthalen-2-yltriazol-4-yl]-(4-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=CC(=CN1C)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations