Geometry & MOs

Info

ID:	436193
PubChem CID:	135194448
Reduced:	FPN2O2C18H18 (1)
Stoich.:	ABC2D2E18F18 (1)
Weight, g/mol:	940.611809
ΔH_f, kcal/mol:	-11.31
Dipole, Da:	6.81
IP(EA), eV:	-9.66(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[8-[(3-ethyloxetan-3-yl)methoxy]octyl]-N-[4-[4-(N-[4-[8-[(3-ethyloxetan-3-yl)methoxy]octyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2CCN(C(=O)[C@@]2(C=C(C1=O)C#N)P)CC3=CC(=CC=C3)F

DOS

IR

Vibrations