Geometry & MOs

Info

ID:	449362
PubChem CID:	135297964
Reduced:	OF2N6C30H34 (1)
Stoich.:	AB2C6D30E34 (1)
Weight, g/mol:	466.262028
ΔH_f, kcal/mol:	-37.94
Dipole, Da:	5.79
IP(EA), eV:	-9.74(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-methyl-2-[4-[2-[4-[2-[4-[2-(methylaminomethoxy)ethyl]phenyl]ethynyl]phenyl]ethynyl]phenoxy]ethanamine

Drug info:

PubChemData

Smile

CCC(C1=CC(=NN=C1C(C)C2=NC(=NC=C2)C3=CN=C(N=C3)C(C)(C)O)C4=C(C=CC=C4F)F)C(C)(C)C

DOS

IR

Vibrations