Geometry & MOs

Info

ID:	379018
PubChem CID:	134228893
Reduced:	BrN2F3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	265.061804
ΔH_f, kcal/mol:	-118.76
Dipole, Da:	4.24
IP(EA), eV:	-9.56(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-(5-chloropyridin-3-yl)ethylideneamino]-2-methyl-N-oxobut-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=CC(=C2)Br)N=C1C(F)(F)F

DOS

IR

Vibrations