Geometry & MOs

Info

ID:	356780
PubChem CID:	127292320
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	292.164774
ΔH_f, kcal/mol:	-80.15
Dipole, Da:	7.34
IP(EA), eV:	-9.38(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1CCCCO1)C(=O)NCC2=NN=C3N2CCCC3

DOS

IR

Vibrations