Geometry & MOs

Info

ID:

387556

PubChem CID:

134985843

Reduced:

N2O2C12H13 (1)

Stoich.:

A2B2C12D13 (1)

Weight, g/mol:

172.14633

ΔHf, kcal/mol:

7.47

Dipole, Da:

5.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.793998

Charge, e:

 0

Chem-info

IUPAC name:

5-hydroxy-5-methylnonan-3-one

Drug info:

PubChemData

Smile

C/C(=C(/C(/C=C/C1=CC=CC=C1)O)\[N+]#N)/O

DOS

IR

Vibrations