Geometry & MOs

Info

ID:	401519
PubChem CID:	135051506
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	259.012556
ΔH_f, kcal/mol:	-24.9
Dipole, Da:	2.43
IP(EA), eV:	-9.01(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-3-phenyl-2-oxa-1lambda4,8-dithiabicyclo[3.3.0]octa-1(5),3,6-triene-6-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C(C1=CC=CC2=C1OC3=CC=CC=C23)O

DOS

IR

Vibrations