Geometry & MOs

Info

ID:	154818
PubChem CID:	56314347
Reduced:	F3N3O5C17H20 (1)
Stoich.:	A3B3C5D17E20 (1)
Weight, g/mol:	393.130026
ΔH_f, kcal/mol:	-300.11
Dipole, Da:	1.9
IP(EA), eV:	-8.8(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzimidazol-1-yl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NNC(=O)C(=O)NC2CC2)OCC(F)(F)F

DOS

IR

Vibrations