Geometry & MOs

Info

ID:	360382
PubChem CID:	127301027
Reduced:	ON7C19H25 (1)
Stoich.:	AB7C19D25 (1)
Weight, g/mol:	360.190989
ΔH_f, kcal/mol:	47.78
Dipole, Da:	6.67
IP(EA), eV:	-9.43(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-oxo-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione

Drug info:

PubChemData

Smile

CCC(C)N1C2=NC(=CC(=C2C=N1)C(=O)N3CCCC(C3)N4C=NC=N4)C

DOS

IR

Vibrations