Geometry & MOs

Info

ID:	367617
PubChem CID:	127325107
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	359.177982
ΔH_f, kcal/mol:	-137.16
Dipole, Da:	7.77
IP(EA), eV:	-9.24(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2CCN(CC2)C(=O)CC3C4=CC=CC=C4CCO3

DOS

IR

Vibrations