Geometry & MOs

Info

ID:

23532

PubChem CID:

604362

Reduced:

NC9H10 (1)

Stoich.:

AB9C10 (1)

Weight, g/mol:

132.081324

ΔHf, kcal/mol:

67.14

Dipole, Da:

3.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.865908

Charge, e:

 -5

Chem-info

IUPAC name:

4-cyclopentylbutanenitrile

Drug info:

PubChemData

Smile

[CH-]1[CH-][CH-][C-]([CH-]1)CCCC#N

DOS

IR

Vibrations