Geometry & MOs

Info

ID:	242350
PubChem CID:	96099882
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	251.107005
ΔH_f, kcal/mol:	23.58
Dipole, Da:	6.38
IP(EA), eV:	-9.32(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[7-fluoro-2-(methylaminomethyl)benzimidazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@H]2CCCN2C(=O)C3=NNC(=C3)C4CC4

DOS

IR

Vibrations