Geometry & MOs

Info

ID:	327459
PubChem CID:	126689965
Reduced:	BrN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	248.096106
ΔH_f, kcal/mol:	-35.44
Dipole, Da:	2.68
IP(EA), eV:	-9.53(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(5-fluoro-2-methylphenyl)methylidene]-5-methyldiazinane-3,6-dione

Drug info:

PubChemData

Smile

CC1/C(=C\C2=C(C=CC(=C2)Br)C)/C(=O)NNC1=O

DOS

IR

Vibrations