Geometry & MOs

Info

ID:	216505
PubChem CID:	85086335
Reduced:	ClO4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	274.02046
ΔH_f, kcal/mol:	-208.53
Dipole, Da:	0.61
IP(EA), eV:	-9.77(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-bromo-1-methyl-2-oxocyclohex-3-en-1-yl)propanoate

Drug info:

PubChemData

Smile

CC(=O)OCC1CC=C(CC1COC(=O)C)CCl

DOS

IR

Vibrations