Geometry & MOs

Info

ID:	284518
PubChem CID:	104051614
Reduced:	BrO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	310.05684
ΔH_f, kcal/mol:	-47.25
Dipole, Da:	4.3
IP(EA), eV:	-8.84(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-cyclopentylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=C(C(=CC(=C2C)Br)C)OC

DOS

IR

Vibrations