Geometry & MOs

Info

ID:	260474
PubChem CID:	103192792
Reduced:	BrNOF3C13H17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	367.03948
ΔH_f, kcal/mol:	-208.14
Dipole, Da:	4.73
IP(EA), eV:	-8.63(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bromo-2-(trifluoromethoxy)phenyl]-2,6-dimethyloxan-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations