Geometry & MOs

Info

ID:	21394
PubChem CID:	588099
Reduced:	F2N3O4C13H13 (1)
Stoich.:	A2B3C4D13E13 (1)
Weight, g/mol:	313.087412
ΔH_f, kcal/mol:	-159.98
Dipole, Da:	8.47
IP(EA), eV:	-8.74(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-(2,6-difluorobenzoyl)hydrazinyl]-2-nitrosobut-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C(C)NNC(=O)C1=C(C=CC=C1F)F)N=O

DOS

IR

Vibrations