Geometry & MOs

Info

ID:

175259

PubChem CID:

75875027

Reduced:

O2N3C14H24 (1)

Stoich.:

A2B3C14D24 (1)

Weight, g/mol:

284.270188

ΔHf, kcal/mol:

-63.9

Dipole, Da:

3.59

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.031408

Charge, e:

1

Chem-info

IUPAC name:

[1-(cyclopentylcarbamoylamino)-4-methylpentan-2-yl]-diethylazanium

Drug info:

PubChemData

Smile

CC[NH+](CC)C(C)CNC(=O)C1=C(N=CC=C1)OC

DOS

IR

Vibrations