Geometry & MOs

Info

ID:	405910
PubChem CID:	135075909
Reduced:	BrO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	244.065493
ΔH_f, kcal/mol:	-96.01
Dipole, Da:	4.38
IP(EA), eV:	-8.75(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)OC2CCCC=C2Br)OC

DOS

IR

Vibrations