Geometry & MOs

Info

ID:

173419

PubChem CID:

75637048

Reduced:

O3N4H15C18 (1)

Stoich.:

A3B4C15D18 (1)

Weight, g/mol:

227.118438

ΔHf, kcal/mol:

0.69

Dipole, Da:

6.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.131397

Charge, e:

 -1

Chem-info

IUPAC name:

4-ethyl-4-methyl-1,5-dihydrobenzo[g]indazol-3-olate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2CC(=NC3=NC4=CC=CC=C4N23)[O-]

DOS

IR

Vibrations