Geometry & MOs

Info

ID:

379151

PubChem CID:

134354948

Reduced:

ON8C25H32 (1)

Stoich.:

AB8C25D32 (1)

Weight, g/mol:

462.285558

ΔHf, kcal/mol:

77.11

Dipole, Da:

6.55

IP(EA), eV:

 -8.73(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-5-amino-4-[N-(1-ethanimidoyl-6-iminopyridazin-3-yl)-C-methylcarbonimidoyl]-1-[4-(pyridin-2-ylmethyl)piperidin-1-yl]hex-4-en-1-one

Drug info:

PubChemData

Smile

CC1=NN=C2N1N=C(C=C2)N=C(C)/C(=C(/C)\N)/CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations