Geometry & MOs

Info

ID:	206117
PubChem CID:	80207189
Reduced:	OF2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	269.00514
ΔH_f, kcal/mol:	-134.4
Dipole, Da:	2.42
IP(EA), eV:	-9.91(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromopyridin-3-yl)-(oxan-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(=O)C(C)C1=CC(=CC(=C1)F)F

DOS

IR

Vibrations