Geometry & MOs

Info

ID:	129856
PubChem CID:	51074065
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-1.69
Dipole, Da:	2.33
IP(EA), eV:	-9.5(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=O)CCC(=N1)C(=O)N(CC2=CN=CC=C2)C3CC3

DOS

IR

Vibrations