Geometry & MOs

Info

ID:	158924
PubChem CID:	57244214
Reduced:	ClFNPO5C20H22 (1)
Stoich.:	ABCDE5F20G22 (1)
Weight, g/mol:	395.214655
ΔH_f, kcal/mol:	-279.91
Dipole, Da:	3.98
IP(EA), eV:	-9.26(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-3-(3-chloro-4-cyclohexylphenyl)pentyl]cyclohexanamine

Drug info:

PubChemData

Smile

CCOP(=O)(C=CC1=CC(=C(C=C1Cl)F)N2C(=O)C3=C(C2=O)CCCC3)OCC

DOS

IR

Vibrations