Geometry & MOs

Info

ID:	424461
PubChem CID:	135122767
Reduced:	BrOF3N3H11C13 (1)
Stoich.:	ABC3D3E11F13 (1)
Weight, g/mol:	312.108562
ΔH_f, kcal/mol:	-138.71
Dipole, Da:	3.59
IP(EA), eV:	-8.93(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-6-[N-methyl-4-(trifluoromethoxy)anilino]pyridin-3-ol

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1Br)N(C)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations