Geometry & MOs

Info

ID:

431203

PubChem CID:

135171273

Reduced:

NOC6H7 (4)

Stoich.:

ABC6D7 (4)

Weight, g/mol:

963.375118

ΔHf, kcal/mol:

-23.92

Dipole, Da:

5.89

IP(EA), eV:

 -8.45(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[3-cyano-5-[5-[6-[4-(3-cyanophenoxy)piperidin-1-yl]-5-methylpyridazine-3-carbonyl]-3-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridin-7-yl]phenoxy]piperidin-1-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CC4=C(C=C3)OCCO4)C(=O)NC5C6CC5C6

DOS

IR

Vibrations