Geometry & MOs

Info

ID:

88619

PubChem CID:

49955754

Reduced:

ClNO2C12H15 (1)

Stoich.:

ABC2D12E15 (1)

Weight, g/mol:

217.03404

ΔHf, kcal/mol:

-13.19

Dipole, Da:

4.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.846081

Charge, e:

 -1

Chem-info

IUPAC name:

4-pyrrolidin-1-ylbutanenitrile;bromide

Drug info:

PubChemData

Smile

C1CCC(C1)OC(=O)C2=CC=C(C=C2)N.[Cl-]

DOS

IR

Vibrations