Geometry & MOs

Info

ID:	372377
PubChem CID:	131296679
Reduced:	BrNH10C12 (1)
Stoich.:	ABC10D12 (1)
Weight, g/mol:	247.016684
ΔH_f, kcal/mol:	83.93
Dipole, Da:	3.17
IP(EA), eV:	-9.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,5-dichloro-6-propan-2-ylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC1C(=CC2=CC(=CC=C2)Br)C#N

DOS

IR

Vibrations