Geometry & MOs

Info

ID:	130546
PubChem CID:	51091177
Reduced:	O2N5H15C18 (1)
Stoich.:	A2B5C15D18 (1)
Weight, g/mol:	330.115047
ΔH_f, kcal/mol:	50.7
Dipole, Da:	5.31
IP(EA), eV:	-9.11(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

C1=CC2=NN(C(=O)N2C=C1)CCNC(=O)/C=C/C3=CC=C(C=C3)C#N

DOS

IR

Vibrations