Geometry & MOs

Info

ID:

394315

PubChem CID:

135022759

Reduced:

CrOH13C14 (1)

Stoich.:

ABC13D14 (1)

Weight, g/mol:

265.121512

ΔHf, kcal/mol:

88.66

Dipole, Da:

4.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.535453

Charge, e:

 0

Chem-info

IUPAC name:

3-azido-1,3-diphenylbutan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2[CH+]CO.[Cr]

DOS

IR

Vibrations