Geometry & MOs

Info

ID:	260482
PubChem CID:	103193195
Reduced:	BrNO2F3C11H13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	357.01874
ΔH_f, kcal/mol:	-239.96
Dipole, Da:	4.77
IP(EA), eV:	-8.9(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-(trifluoromethoxy)anilino]-3-ethoxypropan-2-ol

Drug info:

PubChemData

Smile

CC(CCNC1=C(C=C(C=C1)Br)OC(F)(F)F)O

DOS

IR

Vibrations