Geometry & MOs

Info

ID:	257753
PubChem CID:	103148461
Reduced:	BrOF3N3C12H19 (1)
Stoich.:	ABC3D3E12F19 (1)
Weight, g/mol:	307.139528
ΔH_f, kcal/mol:	-183.2
Dipole, Da:	1.48
IP(EA), eV:	-8.9(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Br)CC(CCOCC(F)(F)F)NC)C

DOS

IR

Vibrations