Geometry & MOs

Info

ID:	207372
PubChem CID:	80388673
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	-3.43
Dipole, Da:	7.14
IP(EA), eV:	-9.19(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3-trimethyl-4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperazin-2-one

Drug info:

PubChemData

Smile

CN(CCOCC1CC1)C(=O)C2=NNC(=N2)C3CC3

DOS

IR

Vibrations