Geometry & MOs

Info

ID:	277517
PubChem CID:	103829155
Reduced:	NO2C16H33 (1)
Stoich.:	AB2C16D33 (1)
Weight, g/mol:	343.11469
ΔH_f, kcal/mol:	-146.47
Dipole, Da:	3.41
IP(EA), eV:	-8.89(2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-methylphenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol

Drug info:

PubChemData

Smile

CCC(C)(CC)NCC(COC1CCC(CC1)C)O

DOS

IR

Vibrations