Geometry & MOs

Info

ID:

14268

PubChem CID:

407405

Reduced:

N4C9H17 (1)

Stoich.:

A4B9C17 (1)

Weight, g/mol:

181.145322

ΔHf, kcal/mol:

69.94

Dipole, Da:

0.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.776444

Charge, e:

 1

Chem-info

IUPAC name:

1-prop-2-enyl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane

Drug info:

PubChemData

Smile

C=CC[N+]12CN3CN(C1)CN(C3)C2

DOS

IR

Vibrations