Geometry & MOs

Info

ID:	51745
PubChem CID:	12014474
Reduced:	BrO2H21C29 (2)
Stoich.:	AB2C21D29 (2)
Weight, g/mol:	325.240565
ΔH_f, kcal/mol:	56.01
Dipole, Da:	3.79
IP(EA), eV:	-8.21(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-7,7-dimethyl-1,1-diphenyloctan-1-ol

Drug info:

PubChemData

Smile

C1C2=CC(=CC(=C2)CBr)COC3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)OCC7=CC(=CC(=C7)COC8=C(C9=CC=CC=C9C=C8)C2=C(O1)C=CC1=CC=CC=C12)CBr

DOS

IR

Vibrations