Geometry & MOs

Info

ID:	374642
PubChem CID:	131342080
Reduced:	FINOH5C8 (1)
Stoich.:	ABCDE5F8 (1)
Weight, g/mol:	282.02554
ΔH_f, kcal/mol:	-18.59
Dipole, Da:	3.9
IP(EA), eV:	-10.11(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-6-methylphenyl)-(oxan-3-yl)methanone

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C#N)CO)F)I

DOS

IR

Vibrations