Geometry & MOs

Info

ID:	151295
PubChem CID:	53801012
Reduced:	O8C17H22 (1)
Stoich.:	A8B17C22 (1)
Weight, g/mol:	122.10955
ΔH_f, kcal/mol:	-184.53
Dipole, Da:	4.32
IP(EA), eV:	-9.79(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-5-ynylcyclopropane

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)OOOC(=O)OCCOCCOC(=O)C=C

DOS

IR

Vibrations