Geometry & MOs

Info

ID:	284497
PubChem CID:	104051514
Reduced:	BrO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	354.08306
ΔH_f, kcal/mol:	-55.73
Dipole, Da:	4.6
IP(EA), eV:	-8.8(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)C2=C(C(=CC(=C2C)Br)C)OC)C

DOS

IR

Vibrations