Geometry & MOs

Info

ID:	288962
PubChem CID:	104329073
Reduced:	ClFC17H18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	387.92967
ΔH_f, kcal/mol:	-42.31
Dipole, Da:	2.86
IP(EA), eV:	-9.41(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-fluoro-2-methylbenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations