Geometry & MOs

Info

ID:	437068
PubChem CID:	135214442
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	338.126657
ΔH_f, kcal/mol:	-94.35
Dipole, Da:	1.62
IP(EA), eV:	-9.49(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aR,9R)-9-amino-4-hydroxy-8a-methyl-3-phenylmethoxy-8,9-dihydrobenzo[f][1,2]benzoxazol-5-one

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C=C[C@@H](C2C1C3CC2C=C3)O

DOS

IR

Vibrations