Geometry & MOs

Info

ID:	264304
PubChem CID:	103452595
Reduced:	N2O2C9H14 (1)
Stoich.:	A2B2C9D14 (1)
Weight, g/mol:	255.98991
ΔH_f, kcal/mol:	-80.83
Dipole, Da:	4.68
IP(EA), eV:	-8.98(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-bromo-3-fluorophenyl)pent-3-en-2-one

Drug info:

PubChemData

Smile

CC(C(CC1=CC(=NC=C1)N)O)O

DOS

IR

Vibrations