Geometry & MOs

Info

ID:	380335
PubChem CID:	134970746
Reduced:	YC11H15 (1)
Stoich.:	AB11C15 (1)
Weight, g/mol:	337.03136
ΔH_f, kcal/mol:	47.37
Dipole, Da:	19.66
IP(EA), eV:	-4.67(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2-bromopyridin-3-yl)methyl]-2-methyl-4-oxocyclohex-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)[CH2-].[Y]

DOS

IR

Vibrations