Geometry & MOs

Info

ID:	284523
PubChem CID:	104051619
Reduced:	BrO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	354.11944
ΔH_f, kcal/mol:	-108.14
Dipole, Da:	2.16
IP(EA), eV:	-9.3(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methoxy-3,6-dimethylphenyl)nonan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations