Geometry & MOs

Info

ID:	45323
PubChem CID:	10511183
Reduced:	O5C6H10 (1)
Stoich.:	A5B6C10 (1)
Weight, g/mol:	165.115364
ΔH_f, kcal/mol:	-202.22
Dipole, Da:	3.22
IP(EA), eV:	-10.17(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-amino-1-phenylbutan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C(=O)O)OCOC

DOS

IR

Vibrations