Geometry & MOs

Info

ID:	242293
PubChem CID:	96099825
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	248.143725
ΔH_f, kcal/mol:	-30.88
Dipole, Da:	4.84
IP(EA), eV:	-9.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-fluoro-1-[(3S)-pyrrolidin-3-yl]benzimidazol-2-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@@H]2CCCN2C(=O)C3=NN(C(=O)C=C3)C

DOS

IR

Vibrations