Geometry & MOs

Info

ID:

226454

PubChem CID:

87457399

Reduced:

N5C12H16 (1)

Stoich.:

A5B12C16 (1)

Weight, g/mol:

391.900848

ΔHf, kcal/mol:

95.21

Dipole, Da:

5.31

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.951863

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC(=C[N+](=C1)CCCCNC#N)CNC#N

DOS

IR

Vibrations