Geometry & MOs

Info

ID:	410796
PubChem CID:	135083597
Reduced:	ClO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-40.42
Dipole, Da:	3.69
IP(EA), eV:	-9.3(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(Z)-hex-2-enoxy]but-2-ynoate

Drug info:

PubChemData

Smile

C=C(CC1=CC=C(C=C1)Cl)C(=O)C2=CCCCO2

DOS

IR

Vibrations