Geometry & MOs

Info

ID:	411808
PubChem CID:	135084653
Reduced:	IOC15H15 (1)
Stoich.:	ABC15D15 (1)
Weight, g/mol:	203.105862
ΔH_f, kcal/mol:	70.17
Dipole, Da:	0.87
IP(EA), eV:	-8.61(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-azidopent-1-ynyl)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C#CC1=C(C=C(C=C1)OC)C#CI

DOS

IR

Vibrations