Geometry & MOs

Info

ID:	83603
PubChem CID:	49858678
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-100.09
Dipole, Da:	4.37
IP(EA), eV:	-9.58(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5S)-5-azido-3-methyl-2-phenyloxepan-4-ol

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C2=CC=CC=C2[C@H]1OC)C=CC(=O)OC

DOS

IR

Vibrations