Geometry & MOs

Info

ID:

88623

PubChem CID:

49955759

Reduced:

ClN2O4C17H18 (1)

Stoich.:

AB2C4D17E18 (1)

Weight, g/mol:

288.01546

ΔHf, kcal/mol:

-8.2

Dipole, Da:

8.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.868016

Charge, e:

 -1

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]cyclopentanamine;bromide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(NCCC2=C1)C3=CC=CC=C3[N+](=O)[O-])OC.[Cl-]

DOS

IR

Vibrations