Geometry & MOs

Info

ID:	294858
PubChem CID:	117500869
Reduced:	BrO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	314.05176
ΔH_f, kcal/mol:	-92.03
Dipole, Da:	4.8
IP(EA), eV:	-8.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CO)C1=C(C=CC(=C1OCC2CC2)OC)Br

DOS

IR

Vibrations