Geometry & MOs

Info

ID:	284526
PubChem CID:	104051624
Reduced:	BrO2F3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	336.07249
ΔH_f, kcal/mol:	-214.94
Dipole, Da:	4.85
IP(EA), eV:	-9.31(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bicyclo[4.1.0]heptanyl-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations