Geometry & MOs

Info

ID:	392298
PubChem CID:	135014291
Reduced:	O6C37H52 (1)
Stoich.:	A6B37C52 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-224.13
Dipole, Da:	2.41
IP(EA), eV:	-10.05(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-azidoethyl)-2-(4-methoxyphenyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

CC(=O)OC1(CCCCCC1)C#CCC(CC#CC2(CCCCCC2)OC(=O)C)CC#CC3(CCCCCC3)OC(=O)C

DOS

IR

Vibrations