Geometry & MOs

Info

ID:	54838
PubChem CID:	17389382
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	269.028676
ΔH_f, kcal/mol:	-34.61
Dipole, Da:	1.62
IP(EA), eV:	-8.82(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate

Drug info:

PubChemData

Smile

CN1C(=N)/C(=C\C2=CC=CC=C2)/C(=O)N(C1=O)C.C1CCNCC1

DOS

IR

Vibrations