Geometry & MOs

Info

ID:	65593
PubChem CID:	46386657
Reduced:	OF3N7C21H22 (1)
Stoich.:	AB3C7D21E22 (1)
Weight, g/mol:	445.183793
ΔH_f, kcal/mol:	-37.56
Dipole, Da:	3.71
IP(EA), eV:	-9.03(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations