Geometry & MOs

Info

ID:	12841
PubChem CID:	146643
Reduced:	O2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	193.085127
ΔH_f, kcal/mol:	2.42
Dipole, Da:	1.8
IP(EA), eV:	-9.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-azido-3-phenylpropane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]([C@@H](CO)O)N=[N+]=[N-]

DOS

IR

Vibrations