Geometry & MOs

Info

ID:	373095
PubChem CID:	131309890
Reduced:	ClN2O2F3H6C7 (1)
Stoich.:	AB2C2D3E6F7 (1)
Weight, g/mol:	240.027725
ΔH_f, kcal/mol:	-218.7
Dipole, Da:	4.17
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-5-methyl-4-(trifluoromethoxy)pyridin-2-amine

Drug info:

PubChemData

Smile

COC1=NC(=C(C=C1N)Cl)OC(F)(F)F

DOS

IR

Vibrations