Geometry & MOs

Info

ID:

165205

PubChem CID:

74516244

Reduced:

O2N4H13C15 (1)

Stoich.:

A2B4C13D15 (1)

Weight, g/mol:

282.111676

ΔHf, kcal/mol:

76.72

Dipole, Da:

0.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.958839

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2-methyl-3-phenylprop-2-enylidene)amino]-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)C=NNC(=O)C2=NN=C(C=C2)[O-]

DOS

IR

Vibrations