Geometry & MOs

Info

ID:	440856
PubChem CID:	135231870
Reduced:	F3N3O3C5H8 (1)
Stoich.:	A3B3C3D5E8 (1)
Weight, g/mol:	449.142322
ΔH_f, kcal/mol:	-280.75
Dipole, Da:	2.87
IP(EA), eV:	-10.47(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (NE)-N'-methyl-N-[1-[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]but-3-en-2-ylidene]carbamimidate

Drug info:

PubChemData

Smile

CC(NC(=O)C(=O)NN)OC(F)(F)F

DOS

IR

Vibrations