Geometry & MOs

Info

ID:	294859
PubChem CID:	117500870
Reduced:	BrO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	314.05176
ΔH_f, kcal/mol:	-90.15
Dipole, Da:	1.09
IP(EA), eV:	-8.53(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations