Geometry & MOs

Info

ID:	56271
PubChem CID:	17422923
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	333.18009
ΔH_f, kcal/mol:	-26.12
Dipole, Da:	2.89
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCCNC(=O)CN(C)C(=O)C1=NN(C2=C1CCC2)C3=CC=CC=C3

DOS

IR

Vibrations