Geometry & MOs

Info

ID:	176492
PubChem CID:	76060225
Reduced:	ON5C7H15 (1)
Stoich.:	AB5C7D15 (1)
Weight, g/mol:	364.26136
ΔH_f, kcal/mol:	-28.79
Dipole, Da:	3.74
IP(EA), eV:	-9.14(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3,3-dimethyl-7-(2-oct-4-ynyl-5-oxocyclopentyl)heptanoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1)C2NCNC(=O)N2

DOS

IR

Vibrations