Geometry & MOs

Info

ID:	411047
PubChem CID:	135083856
Reduced:	O5C11H18 (1)
Stoich.:	A5B11C18 (1)
Weight, g/mol:	220.065493
ΔH_f, kcal/mol:	-230.67
Dipole, Da:	2.82
IP(EA), eV:	-10.98(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(Z)-but-2-enoxy]prop-1-ynyl]-2-chlorobenzene

Drug info:

PubChemData

Smile

CC(C(=C)C(=O)OC)OC(=O)OC(C)(C)C

DOS

IR

Vibrations