Geometry & MOs

Info

ID:	375152
PubChem CID:	131472693
Reduced:	BrNSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	256.981503
ΔH_f, kcal/mol:	-5.37
Dipole, Da:	4.25
IP(EA), eV:	-9.53(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-nitro-5-(trifluoromethoxy)pyridin-3-amine

Drug info:

PubChemData

Smile

COC(=O)C1=CSC2=C1C=CC(=C2C#N)Br

DOS

IR

Vibrations