Geometry & MOs

Info

ID:	201853
PubChem CID:	79593460
Reduced:	BrClOH12C18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	407.89837
ΔH_f, kcal/mol:	21.55
Dipole, Da:	1.57
IP(EA), eV:	-9.28(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-fluorophenyl)-(4-bromonaphthalen-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)C2=CC=C(C3=CC=CC=C32)Br)Cl

DOS

IR

Vibrations