Geometry & MOs

Info

ID:	314861
PubChem CID:	126623807
Reduced:	ClOF2N3H10C12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	502.236876
ΔH_f, kcal/mol:	-68.36
Dipole, Da:	1.9
IP(EA), eV:	-9.88(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[[3-(dibenzylamino)oxetan-3-yl]methyl]-5-pyridazin-4-ylindol-3-yl]ethanone

Drug info:

PubChemData

Smile

C1[C@H](CN[C@@H]1C2=NN=C(O2)C3=C(C(=CC=C3)Cl)F)F

DOS

IR

Vibrations