Geometry & MOs

Info

ID:	427574
PubChem CID:	135160137
Reduced:	OF2N2C12H12 (2)
Stoich.:	AB2C2D12E12 (2)
Weight, g/mol:	496.26136
ΔH_f, kcal/mol:	-203.74
Dipole, Da:	7.42
IP(EA), eV:	-8.55(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[5,5-bis(4-hydroxyphenyl)-3-methylhexyl]-4-hydroxyphenyl]methyl]-2-methylphenol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CN(C3=C(C(=C(C=C3C2=O)F)N4CCN(CC4)C)F)CCF)F

DOS

IR

Vibrations