Geometry & MOs

Info

ID:	205209
PubChem CID:	80068882
Reduced:	ClNO3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	189.172879
ΔH_f, kcal/mol:	-128.86
Dipole, Da:	4.47
IP(EA), eV:	-8.22(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butan-2-ol

Drug info:

PubChemData

Smile

CC(C(C)O)NC1=CC(=C(C=C1OC)Cl)OC

DOS

IR

Vibrations