Geometry & MOs

Info

ID:	396964
PubChem CID:	135029519
Reduced:	ClOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	172.029107
ΔH_f, kcal/mol:	-49.4
Dipole, Da:	2.13
IP(EA), eV:	-10.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-6-chlorohex-4-en-2-ynoate

Drug info:

PubChemData

Smile

C1CCC([C@H](C1)CC(=O)C2=CC=CC=C2)Cl

DOS

IR

Vibrations