Geometry & MOs

Info

ID:	285214
PubChem CID:	104098681
Reduced:	NBr2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	231.219829
ΔH_f, kcal/mol:	-70.98
Dipole, Da:	5.11
IP(EA), eV:	-9.44(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethylheptylamino)-2-methylpropane-1,3-diol

Drug info:

PubChemData

Smile

CC(CO)(CO)NCC1=CC(=C(C=C1)Br)Br

DOS

IR

Vibrations