Geometry & MOs

Info

ID:	40251
PubChem CID:	8143813
Reduced:	BrSN4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	386.0868
ΔH_f, kcal/mol:	84.52
Dipole, Da:	7.39
IP(EA), eV:	-8.35(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(4-bromophenoxy)methyl]-1-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole

Drug info:

PubChemData

Smile

C1CCN(C1)CN2C(=S)N=C(N2)C3=CC=CC=C3Br

DOS

IR

Vibrations