Geometry & MOs

Info

ID:	242436
PubChem CID:	96099972
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	283.113233
ΔH_f, kcal/mol:	-44.61
Dipole, Da:	1.98
IP(EA), eV:	-8.83(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[6,7-difluoro-2-(methylaminomethyl)benzimidazol-1-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@@H]2CCCN2C(=O)[C@@H]3CC4=CC=CC=C4O3

DOS

IR

Vibrations