Geometry & MOs

Info

ID:	367618
PubChem CID:	127325108
Reduced:	OSN5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	15.22
Dipole, Da:	3.65
IP(EA), eV:	-8.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentylpiperazin-1-yl)-[3-(1,2,4-triazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN(N=C2)C)C(=O)N3CCN(CC3)C4CCCC4

DOS

IR

Vibrations