Geometry & MOs

Info

ID:	436950
PubChem CID:	135213232
Reduced:	FN3O5C19H30 (1)
Stoich.:	AB3C5D19E30 (1)
Weight, g/mol:	230.062906
ΔH_f, kcal/mol:	-277.79
Dipole, Da:	7.16
IP(EA), eV:	-9.35(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-2-[(E)-2-chloro-3-methylbut-1-enyl]-3-methylidenecyclopentene

Drug info:

PubChemData

Smile

CCCCCCCC(=O)O[C@H]1[C@H](C(O[C@]1(CN)CO)N2C=CC(=CC2=O)N)F

DOS

IR

Vibrations