Geometry & MOs

Info

ID:	294857
PubChem CID:	117500868
Reduced:	BrO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	314.05176
ΔH_f, kcal/mol:	-92.37
Dipole, Da:	2.3
IP(EA), eV:	-8.54(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC(CO)C1=CC(=C(C=C1Br)OCC2CC2)OC

DOS

IR

Vibrations