Geometry & MOs

Info

ID:	257691
PubChem CID:	103148021
Reduced:	BrNOSF3C10H13 (1)
Stoich.:	ABCDE3F10G13 (1)
Weight, g/mol:	277.128963
ΔH_f, kcal/mol:	-187.89
Dipole, Da:	4.27
IP(EA), eV:	-9.33(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

C1=CSC(=C1Br)CC(CCOCC(F)(F)F)N

DOS

IR

Vibrations