Geometry & MOs

Info

ID:	410363
PubChem CID:	135083158
Reduced:	OPH21C24 (1)
Stoich.:	ABC21D24 (1)
Weight, g/mol:	242.094294
ΔH_f, kcal/mol:	51.05
Dipole, Da:	1.49
IP(EA), eV:	-8.4(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (8S)-8-phenyl-7-oxatetracyclo[4.2.0.02,4.03,5]octane-8-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CO4

DOS

IR

Vibrations