Geometry & MOs

Info

ID:	361611
PubChem CID:	127303877
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	366.208947
ΔH_f, kcal/mol:	24.73
Dipole, Da:	8.98
IP(EA), eV:	-9.06(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-2-ylmethylsulfanyl)-1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)C3=CC=C4CCC5=C4C3=CC=C5

DOS

IR

Vibrations