Geometry & MOs

Info

ID:	405601
PubChem CID:	135074615
Reduced:	BrO5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-173.61
Dipole, Da:	4.91
IP(EA), eV:	-9.8(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopentyl]oxyethenolate

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@@]2(O1)CCCC=C2Br)C#CC(CCC/C=C/C(=O)OC)O)C

DOS

IR

Vibrations