Geometry & MOs

Info

ID:	287645
PubChem CID:	104250041
Reduced:	BrO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-86.92
Dipole, Da:	4.43
IP(EA), eV:	-9.41(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-(3-methylphenyl)pentan-2-ol

Drug info:

PubChemData

Smile

CC(CC(CC1=CC(=CC=C1)Br)O)OC

DOS

IR

Vibrations