Geometry & MOs

Info

ID:	340295
PubChem CID:	127262306
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-115.74
Dipole, Da:	3.59
IP(EA), eV:	-9.07(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-4-yn-2-yl cyclobutanecarboxylate

Drug info:

PubChemData

Smile

CC#CC(N1CCC(CC1)OC(=O)CC2CCC2)O

DOS

IR

Vibrations