Geometry & MOs

Info

ID:	411659
PubChem CID:	135084493
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	220.029107
ΔH_f, kcal/mol:	20.37
Dipole, Da:	2.53
IP(EA), eV:	-9.56(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloroethynyl)phenyl]methyl prop-2-enoate

Drug info:

PubChemData

Smile

CC#CCOC[C@@H]1[C@H](O1)C2=CC=CC=C2

DOS

IR

Vibrations