Geometry & MOs

Info

ID:

444258

PubChem CID:

135261878

Reduced:

FN7C29H30 (1)

Stoich.:

AB7C29D30 (1)

Weight, g/mol:

749.394105

ΔHf, kcal/mol:

125.84

Dipole, Da:

5.36

IP(EA), eV:

 -8.3(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[4-[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]phenyl]-5-oxo-2H-pyrrol-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=CCNCC6)/C=C32)F

DOS

IR

Vibrations