Geometry & MOs

Info

ID:	288964
PubChem CID:	104329088
Reduced:	BrF2H11C14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	350.03177
ΔH_f, kcal/mol:	-59.26
Dipole, Da:	2.01
IP(EA), eV:	-9.69(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[bromo-(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(C2=CC=C(C=C2)F)Br

DOS

IR

Vibrations