Geometry & MOs

Info

ID:	281226
PubChem CID:	103911534
Reduced:	OCl2N2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	173.141579
ΔH_f, kcal/mol:	-58.19
Dipole, Da:	2.36
IP(EA), eV:	-8.68(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2-methyloxan-4-yl)amino]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](CNC(C)C1=CC(=C(C(=C1)Cl)N)Cl)O

DOS

IR

Vibrations