Geometry & MOs

Info

ID:	80048
PubChem CID:	49832446
Reduced:	ClON2H6C9 (2)
Stoich.:	ABC2D6E9 (2)
Weight, g/mol:	465.193153
ΔH_f, kcal/mol:	12.22
Dipole, Da:	6.46
IP(EA), eV:	-8.44(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloropyridin-2-yl)methoxy]-1-[6-(3,9-diazaspiro[5.5]undecan-3-yl)pyridin-3-yl]pyridin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=C3NC(=CC(=O)N3NC2=O)C4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations