Geometry & MOs

Info

ID:	375058
PubChem CID:	131465392
Reduced:	ClN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	302.92734
ΔH_f, kcal/mol:	19.73
Dipole, Da:	2.97
IP(EA), eV:	-9.31(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-(chloromethyl)-2-methyl-3-(trifluoromethoxy)pyridine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C=C2Cl)[C@H](CC#N)N

DOS

IR

Vibrations