Geometry & MOs

Info

ID:	162038
PubChem CID:	57393413
Reduced:	BrClNO2H19C29 (1)
Stoich.:	ABCD2E19F29 (1)
Weight, g/mol:	446.124212
ΔH_f, kcal/mol:	45.05
Dipole, Da:	3.05
IP(EA), eV:	-9.45(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OC2=C(C3=C(C=CC(=C3)Cl)N=C2C4=CC(=CC=C4)Br)C5=CC=CC=C5

DOS

IR

Vibrations