Geometry & MOs

Info

ID:	287817
PubChem CID:	104295425
Reduced:	BrClOF2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	350.04817
ΔH_f, kcal/mol:	-106.38
Dipole, Da:	3.82
IP(EA), eV:	-9.3(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(C2=C(C=C(C=C2)OC)Br)Cl

DOS

IR

Vibrations