Geometry & MOs

Info

ID:	245731
PubChem CID:	103023143
Reduced:	BrSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	225.164126
ΔH_f, kcal/mol:	-76.22
Dipole, Da:	4.8
IP(EA), eV:	-9.19(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-4-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CC(=O)CC1=CC(=CS1)Br)OC

DOS

IR

Vibrations