Geometry & MOs

Info

ID:	58564
PubChem CID:	24702318
Reduced:	ClFON2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	253.251798
ΔH_f, kcal/mol:	-25.64
Dipole, Da:	3.64
IP(EA), eV:	-9.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC2=C(C=C(C=C2)C(=N)N)F)Cl

DOS

IR

Vibrations