Geometry & MOs

Info

ID:	284512
PubChem CID:	104051606
Reduced:	BrO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	324.07249
ΔH_f, kcal/mol:	-75.28
Dipole, Da:	4.97
IP(EA), eV:	-8.97(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(1-methylcyclopentyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C2C(C2(C)C)(C)C)C)Br

DOS

IR

Vibrations