Geometry & MOs

Info

ID:	284516
PubChem CID:	104051612
Reduced:	BrClO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	385.9476
ΔH_f, kcal/mol:	-42.69
Dipole, Da:	5.16
IP(EA), eV:	-9.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,4-dichlorophenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations