Geometry & MOs

Info

ID:	144102
PubChem CID:	53312095
Reduced:	O2F3N4H19C20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	406.199153
ΔH_f, kcal/mol:	-164.95
Dipole, Da:	2.71
IP(EA), eV:	-9.19(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(2-hydroxy-3-propan-2-yloxypropoxy)phenoxy]phenoxy]-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

C1CN(CCC1=C2CCOC3=C2C=CC(=C3)C(F)(F)F)C(=O)NC4=NN=CC=C4

DOS

IR

Vibrations