Geometry & MOs

Info

ID:	347200
PubChem CID:	127271741
Reduced:	OS2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	28.38
Dipole, Da:	3.06
IP(EA), eV:	-8.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(3-methylphenyl)cyclopentanecarbonyl]piperazin-1-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3CCCC3)C4=CC=CS4

DOS

IR

Vibrations