Geometry & MOs

Info

ID:	180086
PubChem CID:	76574831
Reduced:	O7C35H40 (1)
Stoich.:	A7B35C40 (1)
Weight, g/mol:	406.251938
ΔH_f, kcal/mol:	-257.6
Dipole, Da:	7.27
IP(EA), eV:	-8.97(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]octan-2-one

Drug info:

PubChemData

Smile

CCCCOC(=O)C=CC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCOC(=O)C(C)CC

DOS

IR

Vibrations