Geometry & MOs

Info

ID:	232624
PubChem CID:	87576551
Reduced:	OSeC12H14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	231.219829
ΔH_f, kcal/mol:	-25.97
Dipole, Da:	2.01
IP(EA), eV:	-8.04(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-pentyloctane-1,2-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=CC2=C1[Se]C=C2

DOS

IR

Vibrations