Geometry & MOs

Info

ID:	203825
PubChem CID:	79875633
Reduced:	SN2O3C11H20 (1)
Stoich.:	AB2C3D11E20 (1)
Weight, g/mol:	298.140531
ΔH_f, kcal/mol:	-134.93
Dipole, Da:	2.21
IP(EA), eV:	-9.01(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(trifluoromethyl)-2-(3,3,4-trimethylpiperazin-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(CN1)CN2C(=O)C(S2(=O)=O)(C)C

DOS

IR

Vibrations