Geometry & MOs

Info

ID:	129847
PubChem CID:	51074034
Reduced:	FSO2N4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	290.153147
ΔH_f, kcal/mol:	-36.14
Dipole, Da:	7.56
IP(EA), eV:	-9.18(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=NN=CS2

DOS

IR

Vibrations