Geometry & MOs

Info

ID:

444221

PubChem CID:

135261749

Reduced:

FN8H25C27 (1)

Stoich.:

AB8C25D27 (1)

Weight, g/mol:

744.307161

ΔHf, kcal/mol:

155.83

Dipole, Da:

4.41

IP(EA), eV:

 -8.35(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[6-[4-[2-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperazin-1-yl]pyridin-3-yl]oxy-6-oxopyridazin-1-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CNN=C6)/C=C32)F

DOS

IR

Vibrations