Geometry & MOs

Info

ID:	172917
PubChem CID:	75572563
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-28.95
Dipole, Da:	3.51
IP(EA), eV:	-9.5(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-4-propan-2-yl-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecan-3-one

Drug info:

PubChemData

Smile

C1C2C3C(C1C4C2O4)C(=O)N(C3O)CC5=CC=CC=C5

DOS

IR

Vibrations