Geometry & MOs

Info

ID:	120805
PubChem CID:	50745193
Reduced:	SO2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	353.246713
ΔH_f, kcal/mol:	-32.07
Dipole, Da:	4.52
IP(EA), eV:	-9.04(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC(=C(S2)C(=O)N(C)CCO)C)C

DOS

IR

Vibrations