Geometry & MOs

Info

ID:	55417
PubChem CID:	17395363
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	330.166746
ΔH_f, kcal/mol:	-103.05
Dipole, Da:	7.92
IP(EA), eV:	-9.46(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propan-2-yl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC2=C(C=C1)N3CCCCCC3=NS2(=O)=O

DOS

IR

Vibrations