Geometry & MOs

Info

ID:	291624
PubChem CID:	113451031
Reduced:	O2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	253.071448
ΔH_f, kcal/mol:	-58.34
Dipole, Da:	3.23
IP(EA), eV:	-8.57(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-difluoro-4-methoxyphenyl)-4-fluoroaniline

Drug info:

PubChemData

Smile

CC(C)(CNC1=NC=NC(=C1OC)NC)OC

DOS

IR

Vibrations