Geometry & MOs

Info

ID:	45415
PubChem CID:	10512929
Reduced:	BrO2C8H9 (1)
Stoich.:	AB2C8D9 (1)
Weight, g/mol:	218.066697
ΔH_f, kcal/mol:	-77.03
Dipole, Da:	3.77
IP(EA), eV:	-9.24(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(dimethylamino)pyridin-2-yl]-2,2,2-trifluoroethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)CO)O

DOS

IR

Vibrations