Geometry & MOs

Info

ID:	257981
PubChem CID:	103149581
Reduced:	OF2N2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	353.06021
ΔH_f, kcal/mol:	-133.84
Dipole, Da:	5.19
IP(EA), eV:	-9.22(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-fluorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations