Geometry & MOs

Info

ID:	378398
PubChem CID:	134224478
Reduced:	FSN3O5C34H36 (1)
Stoich.:	ABC3D5E34F36 (1)
Weight, g/mol:	242.151809
ΔH_f, kcal/mol:	-172.84
Dipole, Da:	5.91
IP(EA), eV:	-9.14(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-hydroxy-5-oxoheptoxy)cyclohexan-1-one

Drug info:

PubChemData

Smile

CCN(C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)C4=CC(=CC=C4)C(=O)NC5(CCCCC5)C=C)S(=O)(=O)C

DOS

IR

Vibrations