Geometry & MOs

Info

ID:

381292

PubChem CID:

134971979

Reduced:

OC17H17 (1)

Stoich.:

AB17C17 (1)

Weight, g/mol:

330.070701

ΔHf, kcal/mol:

53.96

Dipole, Da:

2.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.904988

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)(C#CC2=C[CH]C=C2)O

DOS

IR

Vibrations