Geometry & MOs

Info

ID:	441843
PubChem CID:	135245790
Reduced:	O2F5N6H23C27 (1)
Stoich.:	A2B5C6D23E27 (1)
Weight, g/mol:	143.094629
ΔH_f, kcal/mol:	-45.55
Dipole, Da:	7.49
IP(EA), eV:	-10.02(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3-methoxyoxiran-2-yl)but-2-en-2-amine

Drug info:

PubChemData

Smile

C/C(=C\CC(C(=C)F)OCC#CC1=CN=C(C=C1)C(C2(C(O2)N3C=NN=N3)/C(=C(/C)\F)/C=C\C(=C)F)(F)F)/C#N

DOS

IR

Vibrations