Geometry & MOs

Info

ID:	294856
PubChem CID:	117500866
Reduced:	BrO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	314.05176
ΔH_f, kcal/mol:	-120.92
Dipole, Da:	4.33
IP(EA), eV:	-8.87(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=C(C=C1C(C)CO)Br)OCCO2

DOS

IR

Vibrations