Geometry & MOs

Info

ID:	425012
PubChem CID:	135124863
Reduced:	BrO3N6C27H29 (1)
Stoich.:	AB3C6D27E29 (1)
Weight, g/mol:	396.12407
ΔH_f, kcal/mol:	38.05
Dipole, Da:	2.79
IP(EA), eV:	-8.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)Br)CN(C)CC2=CC(=CC=C2)N3C(=C(C=N3)C(=O)O)[C@@H]4C[C@H]4C5=CN(N=N5)C

DOS

IR

Vibrations