Geometry & MOs

Info

ID:	287818
PubChem CID:	104295431
Reduced:	BrF2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	340.02743
ΔH_f, kcal/mol:	-77.13
Dipole, Da:	3.32
IP(EA), eV:	-9.17(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bromo-(4-methoxy-3-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(C2=CC3=C(CCCC3)C=C2)Br

DOS

IR

Vibrations