Geometry & MOs

Info

ID:	284531
PubChem CID:	104051630
Reduced:	BrO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	369.97715
ΔH_f, kcal/mol:	-88.46
Dipole, Da:	1.96
IP(EA), eV:	-8.98(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(2-chloro-6-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CCC(CC)C(=O)C1=C(C(=CC(=C1C)Br)C)OC

DOS

IR

Vibrations