Geometry & MOs

Info

ID:	425038
PubChem CID:	135124925
Reduced:	ON2C6H6 (3)
Stoich.:	AB2C6D6 (3)
Weight, g/mol:	453.145534
ΔH_f, kcal/mol:	19.01
Dipole, Da:	4.16
IP(EA), eV:	-8.71(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(8-chloroquinolin-7-yl)-N-ethoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=C2)NC3=NN(C=C3C(=O)N)C4COCCC4C#N

DOS

IR

Vibrations