Geometry & MOs

Info

ID:	397890
PubChem CID:	135030916
Reduced:	BrO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-32.77
Dipole, Da:	1.6
IP(EA), eV:	-8.49(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methyl-2-[(3-methylphenyl)methyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC3=C(O2)C(=CC(=C3)Br)OC

DOS

IR

Vibrations