Geometry & MOs

Info

ID:	202975
PubChem CID:	79755432
Reduced:	SF3N3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	298.087291
ΔH_f, kcal/mol:	-73.24
Dipole, Da:	4.92
IP(EA), eV:	-9.25(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)NCCC1=NN=C(S1)C2=C(C(=C(C=C2)F)F)F

DOS

IR

Vibrations