Geometry & MOs

Info

ID:	347199
PubChem CID:	127271740
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	391.150053
ΔH_f, kcal/mol:	-46.08
Dipole, Da:	5.7
IP(EA), eV:	-9.15(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclopentylpiperazin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NC3CCCC4=C3C=CO4

DOS

IR

Vibrations