Geometry & MOs

Info

ID:	284585
PubChem CID:	104054006
Reduced:	BrClOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	370.01353
ΔH_f, kcal/mol:	-26.7
Dipole, Da:	2.14
IP(EA), eV:	-9.29(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[chloro-(2-fluoro-5-methylphenyl)methyl]-4-methoxy-2,5-dimethylbenzene

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C2=C(C(=CC(=C2C)Br)C)OC)Cl

DOS

IR

Vibrations