Geometry & MOs

Info

ID:	441651
PubChem CID:	135238618
Reduced:	N2F3O3C25H27 (1)
Stoich.:	A2B3C3D25E27 (1)
Weight, g/mol:	518.239242
ΔH_f, kcal/mol:	-263.05
Dipole, Da:	8.33
IP(EA), eV:	-9.42(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](CC(C1)(C)C)N2C3=C(C=C(C=C3)C(=O)O)N=C2CC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations