Geometry & MOs

Info

ID:	185088
PubChem CID:	77253617
Reduced:	ClF3O3N4H14C16 (1)
Stoich.:	AB3C3D4E14F16 (1)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	-207.68
Dipole, Da:	3.88
IP(EA), eV:	-9.1(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-ethoxypyridin-3-yl)phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1(C(CN=C(O1)N)(F)F)C2=C(C=CC(=C2)NC(=O)C3=COC(=N3)CCl)F

DOS

IR

Vibrations