Geometry & MOs

Info

ID:	284533
PubChem CID:	104051633
Reduced:	BrF2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	346.05684
ΔH_f, kcal/mol:	-126.57
Dipole, Da:	5.95
IP(EA), eV:	-9.05(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C2=C(C=CC=C2F)F)C)Br

DOS

IR

Vibrations