Geometry & MOs

Info

ID:	392165
PubChem CID:	135013465
Reduced:	N2O5C15H20 (1)
Stoich.:	A2B5C15D20 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-192.81
Dipole, Da:	3.4
IP(EA), eV:	-9.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3aR,8aS,9S,9aS)-3a-cyano-1,2,3,8a,9,9a-hexahydrocyclopenta[a]azulene-9-carboxylate

Drug info:

PubChemData

Smile

C1CNC(=O)C(C1[C@H]([C@@H](CO)O)O)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations