Geometry & MOs

Info

ID:	172325
PubChem CID:	75497046
Reduced:	O2N7C15H21 (1)
Stoich.:	A2B7C15D21 (1)
Weight, g/mol:	421.120246
ΔH_f, kcal/mol:	12.37
Dipole, Da:	3.33
IP(EA), eV:	-8.97(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(thian-3-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CN=CC3=NC=NN23)C(=O)CN4CCOCC4

DOS

IR

Vibrations