Geometry & MOs

Info

ID:	242347
PubChem CID:	96099879
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	269.097583
ΔH_f, kcal/mol:	22.96
Dipole, Da:	4.03
IP(EA), eV:	-9.31(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[6,7-difluoro-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