Geometry & MOs

Info

ID:	406985
PubChem CID:	135079076
Reduced:	BrFNO2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	461.227434
ΔH_f, kcal/mol:	-127.52
Dipole, Da:	3.11
IP(EA), eV:	-9.52(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (E)-2-[benzyl-[(3E)-3-(carbamoylhydrazinylidene)-1-(diethylamino)-1-oxobutan-2-yl]amino]but-2-enedioate

Drug info:

PubChemData

Smile

COC(=O)N(C1CCCCC1)C2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations