Geometry & MOs

Info

ID:	47072
PubChem CID:	10529362
Reduced:	FBr2N3O4H10C17 (1)
Stoich.:	AB2C3D4E10F17 (1)
Weight, g/mol:	500.246378
ΔH_f, kcal/mol:	-146.99
Dipole, Da:	2.14
IP(EA), eV:	-9.98(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(1-tritylimidazol-4-yl)propoxy]phenyl]propan-1-one

Drug info:

PubChemData

Smile

C1C(=O)NC(=O)C12C(=O)N(C(=O)C3=CC=C(N23)Br)CC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations