Geometry & MOs

Info

ID:	198892
PubChem CID:	79169263
Reduced:	BrN2O2H7C11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	199.076392
ΔH_f, kcal/mol:	24.6
Dipole, Da:	7.85
IP(EA), eV:	-9.81(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-6-methyl-3-propoxypyridine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)C(C#N)C#N)Br

DOS

IR

Vibrations