Geometry & MOs

Info

ID:	209623
PubChem CID:	80695227
Reduced:	FN4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	317.177313
ΔH_f, kcal/mol:	-16.8
Dipole, Da:	3.65
IP(EA), eV:	-8.42(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCF)C2=C(C=CC=N2)N

DOS

IR

Vibrations