Geometry & MOs

Info

ID:	436589
PubChem CID:	135205722
Reduced:	O2F3N3H6C9 (1)
Stoich.:	A2B3C3D6E9 (1)
Weight, g/mol:	300.9869
ΔH_f, kcal/mol:	-100.85
Dipole, Da:	6.32
IP(EA), eV:	-9.74(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-bromo-4-chlorophenyl)-3-(dimethylamino)but-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC2=NN(C=C2C=C1[N+](=O)[O-])CC(F)(F)F

DOS

IR

Vibrations