Geometry & MOs

Info

ID:

403333

PubChem CID:

135059774

Reduced:

NOS2C13H16 (1)

Stoich.:

ABC2D13E16 (1)

Weight, g/mol:

137.997942

ΔHf, kcal/mol:

5.68

Dipole, Da:

5.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.782369

Charge, e:

 0

Chem-info

IUPAC name:

2-methanidylpenta-1,4-diene;nickel(2+)

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2SC(=[N+]3CCCC3)S2

DOS

IR

Vibrations