Geometry & MOs

Info

ID:	138113
PubChem CID:	52315545
Reduced:	NO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	310.171951
ΔH_f, kcal/mol:	-153.82
Dipole, Da:	2.65
IP(EA), eV:	-9.27(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-1-ium-3-yl]-6-methyl-1H-benzimidazole

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCC1=CC(=CC=C1)COC(C)C)NC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations