Geometry & MOs

Info

ID:	284507
PubChem CID:	104051597
Reduced:	BrO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	337.99761
ΔH_f, kcal/mol:	-90.7
Dipole, Da:	5.27
IP(EA), eV:	-9.06(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)CC2CCCCC2)C)Br

DOS

IR

Vibrations