Geometry & MOs

Info

ID:

444242

PubChem CID:

135261840

Reduced:

OSN5H25C29 (1)

Stoich.:

ABC5D25E29 (1)

Weight, g/mol:

695.347155

ΔHf, kcal/mol:

148.89

Dipole, Da:

2.68

IP(EA), eV:

 -8.49(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[4-[4-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]piperazin-1-yl]phenyl]pyrazol-1-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CC=C6C7=CSC=C7)N=C3

DOS

IR

Vibrations