Geometry & MOs

Info

ID:	246072
PubChem CID:	103041514
Reduced:	ClFN2O2C12H12 (1)
Stoich.:	ABC2D2E12F12 (1)
Weight, g/mol:	310.161205
ΔH_f, kcal/mol:	-126.88
Dipole, Da:	4.66
IP(EA), eV:	-9.82(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclohexylpiperazine

Drug info:

PubChemData

Smile

CC1(C(=O)NC(=O)N1CC2=CC(=C(C=C2)F)Cl)C

DOS

IR

Vibrations