Geometry & MOs

Info

ID:	11854
PubChem CID:	122027
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-76.18
Dipole, Da:	4.55
IP(EA), eV:	-9.43(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7R,8S)-7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1([C@@H]([C@H](C2=CC3=NON=C3C=C2O1)N4CCCCC4=O)O)C

DOS

IR

Vibrations