Geometry & MOs

Info

ID:	441872
PubChem CID:	135246253
Reduced:	F2O2N5C20H21 (1)
Stoich.:	A2B2C5D20E21 (1)
Weight, g/mol:	387.150681
ΔH_f, kcal/mol:	-17.35
Dipole, Da:	1.85
IP(EA), eV:	-9.02(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(N-amino-2-fluoroanilino)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methoxybut-1-en-1-amine

Drug info:

PubChemData

Smile

CC1(C(N(NN1C)C2=CC=CC=C2F)COC)C3=NC(=NO3)C4=CC=CC=C4F

DOS

IR

Vibrations