Geometry & MOs

Info

ID:	335210
PubChem CID:	127254071
Reduced:	ClNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	536.435322
ΔH_f, kcal/mol:	-53.56
Dipole, Da:	3.42
IP(EA), eV:	-8.93(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexylcyclohexanamine;7-[(1R,2R)-2-[(E)-3-fluorooct-1-enyl]-5-hydroxyiminocyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

C1CCC2(CCN[C@H](C2C1)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations