Geometry & MOs

Info

ID:	295155
PubChem CID:	117518880
Reduced:	BrO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	354.08306
ΔH_f, kcal/mol:	-129.14
Dipole, Da:	3.68
IP(EA), eV:	-9.31(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)OCC2CCC2)CC(C)(C)C(=O)O

DOS

IR

Vibrations