Geometry & MOs

Info

ID:	221864
PubChem CID:	85291468
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	272.087101
ΔH_f, kcal/mol:	-51.92
Dipole, Da:	1.61
IP(EA), eV:	-9.81(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-phenylsulfanyl-11-oxatricyclo[6.2.1.02,7]undec-9-en-3-one

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CCC(C(CCC2=CC=CC=N2)O)O

DOS

IR

Vibrations