Geometry & MOs

Info

ID:	38404
PubChem CID:	8035162
Reduced:	NO3H6C8 (2)
Stoich.:	AB3C6D8 (2)
Weight, g/mol:	260.176287
ΔH_f, kcal/mol:	-138.34
Dipole, Da:	3.15
IP(EA), eV:	-8.97(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopentyl-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@H]2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N)O)O

DOS

IR

Vibrations