Geometry & MOs

Info

ID:	399863
PubChem CID:	135043309
Reduced:	BrO2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	172.182715
ΔH_f, kcal/mol:	-50.38
Dipole, Da:	3.63
IP(EA), eV:	-8.87(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2,6,7-trimethyloctan-4-ol

Drug info:

PubChemData

Smile

C1CC2(C=CC3=C(O2)C=CC(=C3)Br)OC1

DOS

IR

Vibrations