Geometry & MOs

Info

ID:	421746
PubChem CID:	135116528
Reduced:	NO2C21H33 (1)
Stoich.:	AB2C21D33 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-94.2
Dipole, Da:	2.89
IP(EA), eV:	-8.46(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-3-oxopropyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1OCCN2CCC[C@@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations