Geometry & MOs

Info

ID:	355421
PubChem CID:	127288484
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	-20.48
Dipole, Da:	6.23
IP(EA), eV:	-9.57(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations