Geometry & MOs

Info

ID:	399384
PubChem CID:	135039973
Reduced:	NC16H17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	222.087866
ΔH_f, kcal/mol:	76.77
Dipole, Da:	1.56
IP(EA), eV:	-8.94(0.22)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

ethyl (2S,3R)-3-azido-3-cyclopenta-1,4-dien-1-yl-2-hydroxypropanoate

Drug info:

PubChemData

Smile

C#CCN1CC2=CC=CC=C2[C@H]3[C@@H]1CC=CC3

DOS

IR

Vibrations