Geometry & MOs

Info

ID:	380103
PubChem CID:	134965005
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	313.9918
ΔH_f, kcal/mol:	-56.67
Dipole, Da:	4.25
IP(EA), eV:	-9.58(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]benzene

Drug info:

PubChemData

Smile

C=CCC1CC2CC3C=CC(=O)C2(C1)O3

DOS

IR

Vibrations