Geometry & MOs

Info

ID:	363424
PubChem CID:	127311227
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	351.147744
ΔH_f, kcal/mol:	-63.71
Dipole, Da:	4.23
IP(EA), eV:	-8.59(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylpiperazin-1-yl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)N=CN3)C(=O)N4CCCC4

DOS

IR

Vibrations