Geometry & MOs

Info

ID:	224285
PubChem CID:	85341110
Reduced:	O3C17H28 (1)
Stoich.:	A3B17C28 (1)
Weight, g/mol:	281.162708
ΔH_f, kcal/mol:	-172.08
Dipole, Da:	2.39
IP(EA), eV:	-9.91(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxocyclohexyl) 2-(dimethylaminomethylidene)-4-methyl-3-oxopentanoate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(=C)C(CC2C1(CCCC2(C)C)C)O

DOS

IR

Vibrations