Geometry & MOs

Info

ID:	311882
PubChem CID:	126598706
Reduced:	N2F3O3H11C14 (1)
Stoich.:	A2B3C3D11E14 (1)
Weight, g/mol:	442.125275
ΔH_f, kcal/mol:	-232.28
Dipole, Da:	5.89
IP(EA), eV:	-9.44(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-3-yl]-3H-benzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)CNC2=NC=C(C=C2)C(=O)O

DOS

IR

Vibrations