Geometry & MOs

Info

ID:	291604
PubChem CID:	113447169
Reduced:	NF2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	327.97782
ΔH_f, kcal/mol:	-191.42
Dipole, Da:	0.13
IP(EA), eV:	-9.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-chlorophenyl)-1-(3-fluoropyridin-4-yl)ethanamine

Drug info:

PubChemData

Smile

C1CC(CCC1C(F)(F)F)(C2=C(C=NC=C2)F)N

DOS

IR

Vibrations