Geometry & MOs

Info

ID:	270353
PubChem CID:	103636176
Reduced:	NOBr2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	260.102414
ΔH_f, kcal/mol:	-14.11
Dipole, Da:	3.16
IP(EA), eV:	-9.0(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

CC(CNC)OC1=C(C=CC=C1Br)Br

DOS

IR

Vibrations