Geometry & MOs

Info

ID:

436853

PubChem CID:

135212285

Reduced:

O3N7C21H27 (1)

Stoich.:

A3B7C21D27 (1)

Weight, g/mol:

440.228437

ΔHf, kcal/mol:

-8.27

Dipole, Da:

10.0

IP(EA), eV:

 -9.65(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-hydrazinylidene-N'-[6-[[methyl-[(3S)-3-methyl-1-oxo-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide

Drug info:

PubChemData

Smile

CC1=C(COC1=O)N(CCC2CCC(CC2)NCC3=CN=C(C=C3)N4C=NN=N4)C=O

DOS

IR

Vibrations