Geometry & MOs

Info

ID:	220885
PubChem CID:	85240262
Reduced:	ClO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	282.138658
ΔH_f, kcal/mol:	-111.62
Dipole, Da:	4.34
IP(EA), eV:	-9.91(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-chloro-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienoate

Drug info:

PubChemData

Smile

CC1(C(C2=C(C1Cl)C(=O)C(C3(C2=C)CC3)(C)O)O)C

DOS

IR

Vibrations