Geometry & MOs

Info

ID:	19487
PubChem CID:	565392
Reduced:	BrOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	216.01498
ΔH_f, kcal/mol:	-64.33
Dipole, Da:	3.93
IP(EA), eV:	-10.01(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one

Drug info:

PubChemData

Smile

CC1C2CCC(C2CC1=O)Br

DOS

IR

Vibrations