Geometry & MOs

Info

ID:	290106
PubChem CID:	104409054
Reduced:	BrOSN3C14H16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	309.104418
ΔH_f, kcal/mol:	-4.1
Dipole, Da:	2.08
IP(EA), eV:	-9.04(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1)NC2=NC3=C(S2)C=CC(=C3)Br

DOS

IR

Vibrations