Geometry & MOs

Info

ID:	411315
PubChem CID:	135084128
Reduced:	O2N3C7H9 (1)
Stoich.:	A2B3C7D9 (1)
Weight, g/mol:	256.02629
ΔH_f, kcal/mol:	9.22
Dipole, Da:	4.36
IP(EA), eV:	-9.7(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-5-bromo-3-(fluoromethyl)pent-3-enyl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)O/C(=C(/[N+]#[C-])\[N+]#N)/[O-]

DOS

IR

Vibrations