Geometry & MOs

Info

ID:	24152
PubChem CID:	608074
Reduced:	BrOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	278.03063
ΔH_f, kcal/mol:	-33.81
Dipole, Da:	4.56
IP(EA), eV:	-9.89(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-bromo-2,2-dimethyl-3,8b-dihydro-1H-cyclopenta[a]inden-4-one

Drug info:

PubChemData

Smile

CC1(CC2C3=CC=CC=C3C(=O)C2(C1)Br)C

DOS

IR

Vibrations