Geometry & MOs

Info

ID:	425151
PubChem CID:	135125332
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-31.34
Dipole, Da:	2.09
IP(EA), eV:	-8.69(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-6-(3-methylisoquinolin-6-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=CC=NN12)C3=CC4=C(C=C3)OC5(CC4)CCN(CC5)C(=O)NO

DOS

IR

Vibrations