Geometry & MOs

Info

ID:

430988

PubChem CID:

135171058

Reduced:

O2N3C23H31 (1)

Stoich.:

A2B3C23D31 (1)

Weight, g/mol:

907.424176

ΔHf, kcal/mol:

-54.96

Dipole, Da:

2.0

IP(EA), eV:

 -8.25(0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[[6-[3-[[[6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyridazine-3-carbonyl]amino]methyl]-1-methylpyrazol-4-yl]-2-methyl-3-oxo-1H-isoindol-5-yl]oxy]piperidin-1-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)CCCO4

DOS

IR

Vibrations