Geometry & MOs

Info

ID:	284506
PubChem CID:	104051596
Reduced:	BrO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	338.08814
ΔH_f, kcal/mol:	-53.33
Dipole, Da:	1.59
IP(EA), eV:	-8.95(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)C2=C(C(=CC(=C2C)Br)C)OC

DOS

IR

Vibrations