Geometry & MOs

Info

ID:	437648
PubChem CID:	135226755
Reduced:	FO2N5C25H32 (1)
Stoich.:	AB2C5D25E32 (1)
Weight, g/mol:	438.219495
ΔH_f, kcal/mol:	-54.79
Dipole, Da:	2.19
IP(EA), eV:	-8.58(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yl-4-[4-[4-(4-propan-2-yloxyphenoxy)phenoxy]phenyl]benzene

Drug info:

PubChemData

Smile

C1CC2CC1[C@H](N2)C(=O)N[C@@H](CC3=C(C=C(C=C3)N4CC5CN(CC5C4)C6COC6)F)C#N

DOS

IR

Vibrations