Geometry & MOs

Info

ID:

327783

PubChem CID:

126691055

Reduced:

OSN3H33C46 (1)

Stoich.:

ABC3D33E46 (1)

Weight, g/mol:

510.27701

ΔHf, kcal/mol:

172.85

Dipole, Da:

2.75

IP(EA), eV:

 -8.09(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[3-[hydroxy-[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]phenyl]phenyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanol

Drug info:

PubChemData

Smile

C1C(=CNC(N1)C2=CC=CC=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)OC6=CC=CC=C65)C7=CC=C(C=C7)C8=CC9=C(C=C8)SC1=CC=CC=C19

DOS

IR

Vibrations