Geometry & MOs

Info

ID:	271304
PubChem CID:	103654400
Reduced:	SN2F3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-85.07
Dipole, Da:	5.16
IP(EA), eV:	-8.97(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=CC=CC=C2SC(F)(F)F)C#N

DOS

IR

Vibrations