Geometry & MOs

Info

ID:	293769
PubChem CID:	117400920
Reduced:	BrO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	258.02554
ΔH_f, kcal/mol:	-88.36
Dipole, Da:	3.78
IP(EA), eV:	-8.96(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-3-methoxy-5-methylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)Br)O)CCCO

DOS

IR

Vibrations