Geometry & MOs

Info

ID:	284501
PubChem CID:	104051590
Reduced:	BrFO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	324.07249
ΔH_f, kcal/mol:	-82.07
Dipole, Da:	4.24
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations