Geometry & MOs

Info

ID:	284532
PubChem CID:	104051632
Reduced:	BrClFO2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	354.0067
ΔH_f, kcal/mol:	-88.4
Dipole, Da:	5.8
IP(EA), eV:	-9.13(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C2=C(C=CC=C2Cl)F)C)Br

DOS

IR

Vibrations