Geometry & MOs

Info

ID:	361608
PubChem CID:	127303874
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	7.74
Dipole, Da:	8.44
IP(EA), eV:	-9.02(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCCN(C2)C(=O)C3=CC=C(C=C3)OC4=NC=C(C=C4)C#N

DOS

IR

Vibrations