Geometry & MOs

Info

ID:	6072
PubChem CID:	14412
Reduced:	Cl2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	361.111253
ΔH_f, kcal/mol:	17.33
Dipole, Da:	2.68
IP(EA), eV:	-9.1(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole;chloride

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl.[Cl-]

DOS

IR

Vibrations