Geometry & MOs

Info

ID:

224542

PubChem CID:

85344639

Reduced:

N2O2C11H13 (1)

Stoich.:

A2B2C11D13 (1)

Weight, g/mol:

204.11503

ΔHf, kcal/mol:

43.45

Dipole, Da:

2.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.937486

Charge, e:

 0

Chem-info

IUPAC name:

5-phenylpent-2-en-2-yl acetate

Drug info:

PubChemData

Smile

CC(C)C#CC#CCOC(=C(C)[N+]#N)O

DOS

IR

Vibrations