Geometry & MOs

Info

ID:	184650
PubChem CID:	77188703
Reduced:	O5N6C28H48 (1)
Stoich.:	A5B6C28D48 (1)
Weight, g/mol:	352.26136
ΔH_f, kcal/mol:	-220.15
Dipole, Da:	11.74
IP(EA), eV:	-9.4(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-hydroxyheptyl)-5-(4-hydroxy-4-methyloct-1-enyl)cyclopentane-1,3-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)CC)N)CN1C=NC2C1=NC(=NC2=O)N

DOS

IR

Vibrations