Geometry & MOs

Info

ID:	380262
PubChem CID:	134970650
Reduced:	O2C15H28 (1)
Stoich.:	A2B15C28 (1)
Weight, g/mol:	235.040006
ΔH_f, kcal/mol:	-97.98
Dipole, Da:	0.48
IP(EA), eV:	-9.9(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(2-chloro-1-methoxyprop-2-enylidene)isoindol-1-one

Drug info:

PubChemData

Smile

CCCCCC[C@]1([C@@H](C1C)COCOC)C=C

DOS

IR

Vibrations