Geometry & MOs

Info

ID:	284524
PubChem CID:	104051621
Reduced:	BrO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	326.05176
ΔH_f, kcal/mol:	-106.28
Dipole, Da:	2.61
IP(EA), eV:	-8.94(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(2-methyloxolan-2-yl)methanone

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)C1=C(C(=CC(=C1C)Br)C)OC

DOS

IR

Vibrations