Geometry & MOs

Info

ID:	363976
PubChem CID:	127313645
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-8.6
Dipole, Da:	6.02
IP(EA), eV:	-9.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethylpiperidine-1-carbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one

Drug info:

PubChemData

Smile

CC1=NC2=NNC(=C2C(=C1)C(=O)N3CCCC(C3)(C)C)C

DOS

IR

Vibrations