Geometry & MOs

Info

ID:	257804
PubChem CID:	103148642
Reduced:	OF3N3C12H20 (1)
Stoich.:	AB3C3D12E20 (1)
Weight, g/mol:	359.01663
ΔH_f, kcal/mol:	-181.26
Dipole, Da:	2.66
IP(EA), eV:	-8.79(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromothiophen-2-yl)-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

CCNC(CCOCC(F)(F)F)CC1=CN(N=C1)C

DOS

IR

Vibrations