Geometry & MOs

Info

ID:	295776
PubChem CID:	117543926
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-59.32
Dipole, Da:	2.65
IP(EA), eV:	-8.72(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethylpyrrolidin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CN2CC(CC2(C)C)O

DOS

IR

Vibrations