Geometry & MOs

Info

ID:	352495
PubChem CID:	127283583
Reduced:	OSN8C13H14 (1)
Stoich.:	ABC8D13E14 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	122.14
Dipole, Da:	9.35
IP(EA), eV:	-9.93(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=C(C=CS2)N3C=NN=N3)N4C=NC=N4

DOS

IR

Vibrations