Geometry & MOs

Info

ID:	406381
PubChem CID:	135077398
Reduced:	ClOF3H20C22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	298.076057
ΔH_f, kcal/mol:	-143.88
Dipole, Da:	5.1
IP(EA), eV:	-9.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(4-chlorophenyl)-5-(4-methoxyphenyl)pent-2-en-4-yn-1-ol

Drug info:

PubChemData

Smile

CC/C(=C(\CC)/C(C1=CC=C(C=C1)C(F)(F)F)O)/C#CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations