Geometry & MOs

Info

ID:	242289
PubChem CID:	96099821
Reduced:	FN4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	248.143725
ΔH_f, kcal/mol:	-2.32
Dipole, Da:	2.96
IP(EA), eV:	-9.04(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-fluoro-1-[(3S)-pyrrolidin-3-yl]benzimidazol-2-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CNCC1=NC2=C(N1[C@@H]3CCNC3)C=C(C=C2)F

DOS

IR

Vibrations