Geometry & MOs

Info

ID:	268027
PubChem CID:	103596982
Reduced:	ClN2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	315.093853
ΔH_f, kcal/mol:	-99.41
Dipole, Da:	3.87
IP(EA), eV:	-8.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-benzimidazole

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2=NC3=C(N2)C=C(C=C3)Cl)OCC(=O)OC

DOS

IR

Vibrations