Geometry & MOs

Info

ID:	328058
PubChem CID:	126691889
Reduced:	N3O3F6H23C27 (1)
Stoich.:	A3B3C6D23E27 (1)
Weight, g/mol:	348.172545
ΔH_f, kcal/mol:	-341.28
Dipole, Da:	6.35
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-hydroxyphenyl)ethyl]-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(C=CC(=N2)N3CC(C3)(F)F)C4=CC=CC=C4OC)C5=CC(=CC(=C5)F)C(F)(F)F

DOS

IR

Vibrations