Geometry & MOs

Info

ID:

227260

PubChem CID:

87560921

Reduced:

F4O6N13C49H63 (1)

Stoich.:

A4B6C13D49E63 (1)

Weight, g/mol:

454.188606

ΔHf, kcal/mol:

-301.15

Dipole, Da:

11.08

IP(EA), eV:

 -8.53(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[(3,3-dimethylbutylamino)methyl]-2-methoxyphenoxy]pyridazine-3-carboxamide;methanesulfonic acid

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=C(C=C1)NC2=NC=C3C(=N2)N(CC(C(=O)N3C)(F)F)C4CCCC4)OC.CN1C2=CN=C(N=C2N(CC(C1=O)(F)F)C3CCCC3)NC4=C(C=C(C=C4)C(=O)NCCCN(C)C)OC

DOS

IR

Vibrations