Geometry & MOs

Info

ID:	382572
PubChem CID:	134973819
Reduced:	O2N3C15H16 (2)
Stoich.:	A2B3C15D16 (2)
Weight, g/mol:	316.131074
ΔH_f, kcal/mol:	-58.1
Dipole, Da:	7.24
IP(EA), eV:	-9.07(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-11-methyl-9-(phenylmethoxymethyl)-2,6-dioxatricyclo[5.2.2.01,5]undec-4-en-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN2C=C(N=N2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations