Geometry & MOs

Info

ID:	373024
PubChem CID:	131308750
Reduced:	BrNH2O2F4C7 (1)
Stoich.:	ABC2D2E4F7 (1)
Weight, g/mol:	242.00699
ΔH_f, kcal/mol:	-226.23
Dipole, Da:	2.29
IP(EA), eV:	-10.5(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-methoxy-5-(trifluoromethoxy)pyridin-2-amine

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)F)Br)C=O)OC(F)(F)F

DOS

IR

Vibrations