Geometry & MOs

Info

ID:	260470
PubChem CID:	103192728
Reduced:	BrON2F4H9C13 (1)
Stoich.:	ABC2D4E9F13 (1)
Weight, g/mol:	361.00376
ΔH_f, kcal/mol:	-195.65
Dipole, Da:	2.45
IP(EA), eV:	-8.73(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-3-methylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)N)NC2=C(C=C(C=C2)Br)OC(F)(F)F

DOS

IR

Vibrations