Geometry & MOs

Info

ID:	39841
PubChem CID:	8142551
Reduced:	N3C10H18 (2)
Stoich.:	A3B10C18 (2)
Weight, g/mol:	286.077656
ΔH_f, kcal/mol:	75.78
Dipole, Da:	4.96
IP(EA), eV:	-8.76(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-(3-nitrosobut-2-en-2-ylamino)oxypropanoate

Drug info:

PubChemData

Smile

CC12/C(=N\N=C\3/C4(C[NH+]5CC3C[NH+](C4)CC5)C)/C6C[NH+](C1)CC[NH+](C2)C6

DOS

IR

Vibrations