Geometry & MOs

Info

ID:	288856
PubChem CID:	104327078
Reduced:	FON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	261.12774
ΔH_f, kcal/mol:	-36.9
Dipole, Da:	4.37
IP(EA), eV:	-8.37(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(4-ethoxy-3-fluorophenyl)-2-N-methylpyridine-2,6-diamine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC2=CC(=NC=C2)NC)F

DOS

IR

Vibrations