Geometry & MOs

Info

ID:	386505
PubChem CID:	134981969
Reduced:	ClFH10C22 (1)
Stoich.:	ABC10D22 (1)
Weight, g/mol:	388.26136
ΔH_f, kcal/mol:	27.68
Dipole, Da:	2.16
IP(EA), eV:	-8.38(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (5Z)-4-butyl-5-oct-3-yn-2-ylidenecyclohex-3-ene-1,1-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C4=C5C(=C(C=C4F)Cl)C=CC6=C5C3=C(C=C2)C=C6

DOS

IR

Vibrations