Geometry & MOs

Info

ID:	448335
PubChem CID:	135290208
Reduced:	BrClIOH9C13 (1)
Stoich.:	ABCDE9F13 (1)
Weight, g/mol:	555.213362
ΔH_f, kcal/mol:	24.77
Dipole, Da:	2.92
IP(EA), eV:	-9.21(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC(=C(C=C2Cl)Br)I

DOS

IR

Vibrations