Geometry & MOs

Info

ID:	340298
PubChem CID:	127262309
Reduced:	ClO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-108.83
Dipole, Da:	2.48
IP(EA), eV:	-9.07(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hept-3-ynyl cyclobutanecarboxylate

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)OCOC2=CC=CC=C2Cl

DOS

IR

Vibrations