Geometry & MOs

Info

ID:	288794
PubChem CID:	104325969
Reduced:	FON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	255.127072
ΔH_f, kcal/mol:	-23.05
Dipole, Da:	4.83
IP(EA), eV:	-8.61(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-dioxan-4-ylmethyl)-4-ethoxy-3-fluoroaniline

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NCCN2C=CC=N2)F

DOS

IR

Vibrations