Geometry & MOs

Info

ID:	45425
PubChem CID:	10513111
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	220.065493
ΔH_f, kcal/mol:	-115.38
Dipole, Da:	6.4
IP(EA), eV:	-9.51(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-but-2-enyl]-6-chloro-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C[C@H](/C=C/C1=CC=CC=C1)[C@H](CC(=O)O)O

DOS

IR

Vibrations