Geometry & MOs

Info

ID:	446961
PubChem CID:	135279118
Reduced:	OSN2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	589.301267
ΔH_f, kcal/mol:	31.58
Dipole, Da:	2.58
IP(EA), eV:	-8.49(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[4-[4-[1-(2-hydroxy-6-oxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CCSC1=CC(=C(C=C1)OCC2CC2)C3=C4C=CNC4=NC(=C3)C

DOS

IR

Vibrations