Geometry & MOs

Info

ID:	313401
PubChem CID:	126614424
Reduced:	SN3H29C41 (1)
Stoich.:	AB3C29D41 (1)
Weight, g/mol:	891.465145
ΔH_f, kcal/mol:	185.57
Dipole, Da:	4.13
IP(EA), eV:	-7.91(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-bis(1-benzofuran-2-yl)-10-[2,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenoxazine

Drug info:

PubChemData

Smile

C1CC2=C(C=CC3=C2C4=C(C=C3)SC(N4)C5=CC6=CC=CC=C6C=C5)C=C1C7=NC(=CC(=N7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations