Geometry & MOs

Info

ID:	344495
PubChem CID:	127268079
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	-20.31
Dipole, Da:	5.18
IP(EA), eV:	-8.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

C1COCCC1C2=NC(=NO2)CN3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations