Geometry & MOs

Info

ID:	374763
PubChem CID:	131342649
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	258.977854
ΔH_f, kcal/mol:	19.89
Dipole, Da:	3.53
IP(EA), eV:	-9.04(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(chloromethyl)-5-methyl-3-(trifluoromethoxy)pyridine

Drug info:

PubChemData

Smile

C=C[C@H](C1=NC2=C(C=C1)C=C(C=C2)O)N

DOS

IR

Vibrations