Geometry & MOs

Info

ID:	59251
PubChem CID:	24775835
Reduced:	ON4H24C25 (1)
Stoich.:	AB4C24D25 (1)
Weight, g/mol:	472.199822
ΔH_f, kcal/mol:	52.26
Dipole, Da:	2.44
IP(EA), eV:	-8.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]-1-oxa-3-azaspiro[4.5]decan-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCCC3)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations