Geometry & MOs

Info

ID:	136105
PubChem CID:	51979114
Reduced:	ClON3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	263.118925
ΔH_f, kcal/mol:	25.89
Dipole, Da:	3.14
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1-propyl-2-[(2R)-pyrrolidin-2-yl]benzimidazole

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C2=NC3=C(N2CC4=CC=CO4)C=C(C=C3)Cl

DOS

IR

Vibrations