Geometry & MOs

Info

ID:	297073
PubChem CID:	117607699
Reduced:	BrFN3O3C28H29 (1)
Stoich.:	ABC3D3E28F29 (1)
Weight, g/mol:	469.236542
ΔH_f, kcal/mol:	-98.51
Dipole, Da:	9.87
IP(EA), eV:	-8.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[1-[(3-methylphenyl)methyl]-6-[(5-methylpyridin-2-yl)methoxy]benzimidazol-2-yl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)(CC1=NC2=C(N1CC3=C(C=CC(=C3)Br)F)C=C(C=C2)OCC4=NC=C(C=C4)C)C(=O)O

DOS

IR

Vibrations