Geometry & MOs

Info

ID:	65596
PubChem CID:	46386660
Reduced:	OF3N7C22H24 (1)
Stoich.:	AB3C7D22E24 (1)
Weight, g/mol:	497.253923
ΔH_f, kcal/mol:	-43.76
Dipole, Da:	9.26
IP(EA), eV:	-9.18(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-ethyl-3-[2-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Drug info:

PubChemData

Smile

CCCCN(CC)C1=NN2C(=NN=C2CCC3=NC(=NO3)C4=CC=C(C=C4)C(F)(F)F)C=C1

DOS

IR

Vibrations