Geometry & MOs

Info

ID:

407776

PubChem CID:

135080531

Reduced:

O3N5H6C7 (1)

Stoich.:

A3B5C6D7 (1)

Weight, g/mol:

223.087829

ΔHf, kcal/mol:

49.9

Dipole, Da:

5.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.922554

Charge, e:

 0

Chem-info

IUPAC name:

3-(cyclopentylazaniumyl)propyl sulfate

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1/C(=C/[N+]#N)/O)N)[N+](=O)[O-]

DOS

IR

Vibrations