Geometry & MOs

Info

ID:	439620
PubChem CID:	135229406
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	613.204179
ΔH_f, kcal/mol:	37.86
Dipole, Da:	1.2
IP(EA), eV:	-8.53(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenoxazine

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)CN2CCSC2)C3=NC=C(C=C3)C4=NC=CC=N4

DOS

IR

Vibrations