Geometry & MOs

Info

ID:	294644
PubChem CID:	117478428
Reduced:	BrO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	296.04119
ΔH_f, kcal/mol:	-94.04
Dipole, Da:	3.72
IP(EA), eV:	-9.42(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropan-1-ol

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=CC2=C(C=C1)OC=C2Br

DOS

IR

Vibrations