Geometry & MOs

Info

ID:	346377
PubChem CID:	127270881
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-54.34
Dipole, Da:	3.8
IP(EA), eV:	-8.98(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCN(CC3)C(=O)NC4CCCCC4)NN=C2

DOS

IR

Vibrations