Geometry & MOs

Info

ID:	399070
PubChem CID:	135037508
Reduced:	NOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	262.087291
ΔH_f, kcal/mol:	-25.48
Dipole, Da:	3.59
IP(EA), eV:	-8.43(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7S)-7-(6-chloropyridin-3-yl)-2-methyl-2-azaspiro[4.4]non-8-en-1-one

Drug info:

PubChemData

Smile

C1CC(=O)[C@H]2C[C@@H]1NC3=CC=CC=C23

DOS

IR

Vibrations