Geometry & MOs

Info

ID:	127598
PubChem CID:	51007980
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	181.073893
ΔH_f, kcal/mol:	-113.56
Dipole, Da:	4.47
IP(EA), eV:	-8.81(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6S,7R)-4-hydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@H]1[C@H]([C@@H]2C(=O)O)C(=O)N3CCN(CC3)CCC4=CC=CC=C4

DOS

IR

Vibrations