Geometry & MOs

Info

ID:	313383
PubChem CID:	126614195
Reduced:	NOC130H165 (1)
Stoich.:	ABC130D165 (1)
Weight, g/mol:	645.01259
ΔH_f, kcal/mol:	-53.39
Dipole, Da:	1.83
IP(EA), eV:	-7.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dibromo-10-(2,4,6-triphenylphenyl)phenoxazine

Drug info:

Smile

CCCCCCCCC1(C2=CC=CC=C2C3=CC4=C(C=C31)C5=C(C4(CCCCCCC)CCCCCCC)C=C(C=C5)C6=CC7=C(C=C6)N(C8=C(O7)C=C(C=C8)C9=CC1=C(C=C9)C2=C(C1(CCCCCCC)CCCCCCCC)C=C1C3=CC=CC=C3C(C1=C2)(CCCCCCCC)CCCCCCCC)C1=C(C=CC=C1C1=CC=CC=C1)C1=CC=CC=C1)CCCCCCC

DOS

IR

Vibrations