Geometry & MOs

Info

ID:	425168
PubChem CID:	135125395
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-125.29
Dipole, Da:	3.55
IP(EA), eV:	-9.09(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-methylbenzimidazol-5-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C(=O)N2CCC3(CC2)OCC4=C(O3)C=CC(=C4)C5=CC=NC=C5

DOS

IR

Vibrations