Geometry & MOs

Info

ID:

139722

PubChem CID:

52585164

Reduced:

N2O3C13H17 (1)

Stoich.:

A2B3C13D17 (1)

Weight, g/mol:

250.131742

ΔHf, kcal/mol:

-79.79

Dipole, Da:

6.99

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.943774

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl 3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NC(=C1C(=O)OC2CCCCC2)[O-])C

DOS

IR

Vibrations