Geometry & MOs

Info

ID:	284536
PubChem CID:	104051637
Reduced:	ClBr2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	323.98196
ΔH_f, kcal/mol:	-39.0
Dipole, Da:	4.8
IP(EA), eV:	-9.22(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-thiophen-3-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations