Geometry & MOs

Info

ID:

400049

PubChem CID:

135044838

Reduced:

CH (11)

Stoich.:

AB (11)

Weight, g/mol:

121.089149

ΔHf, kcal/mol:

44.92

Dipole, Da:

1.47

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.040402

Charge, e:

0

Chem-info

IUPAC name:

3-(cyclopenten-1-yl)propanenitrile

Drug info:

PubChemData

Smile

C[C-]1C=CC2=CC=CC2=C1C

DOS

IR

Vibrations