Geometry & MOs

Info

ID:	189630
PubChem CID:	77883334
Reduced:	ClO6C24H29 (1)
Stoich.:	AB6C24D29 (1)
Weight, g/mol:	366.27701
ΔH_f, kcal/mol:	-190.93
Dipole, Da:	10.58
IP(EA), eV:	-8.49(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[2-hydroxy-5-(4-methyl-3-oxooctylidene)cyclopentyl]heptanoate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)C1C(CC2C1(CC(C3(C2C=CC4=CC(=O)C=CC43C)Cl)O)C)OC

DOS

IR

Vibrations