Geometry & MOs

Info

ID:	387700
PubChem CID:	134986474
Reduced:	ClHgO2C10H17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	181.110279
ΔH_f, kcal/mol:	-79.83
Dipole, Da:	4.91
IP(EA), eV:	-9.04(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-6-propan-2-ylidene-3H-pyran-2-one

Drug info:

PubChemData

Smile

CC[C@H]1O[C@H](C[C@H](O1)C[Hg]Cl)CC=C

DOS

IR

Vibrations