Geometry & MOs

Info

ID:

446219

PubChem CID:

135273221

Reduced:

ClN6O6C23H27 (1)

Stoich.:

AB6C6D23E27 (1)

Weight, g/mol:

785.303177

ΔHf, kcal/mol:

-195.61

Dipole, Da:

6.31

IP(EA), eV:

 -8.89(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-chloro-5-[6-[4-[4-[(1R,2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butyl]pyridin-3-yl]oxy-2-(oxan-2-yl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)OC3=C(C(=O)N(N=C3)C4CCC(=O)NC4=O)Cl

DOS

IR

Vibrations