Geometry & MOs

Info

ID:	242355
PubChem CID:	96099887
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	251.107005
ΔH_f, kcal/mol:	-59.04
Dipole, Da:	2.79
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[5-fluoro-2-(methylaminomethyl)benzimidazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@H]2CCCN2C(=O)CC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations